E13 - Molecular Spectroscopy and Separation Science

SIGNIFICANCE AND USE
4.1 Generally, Raman spectra measured using grating-based dispersive or Fourier transform Raman spectrometers have not been corrected for the instrumental response (spectral responsivity of the detection system). Raman spectra obtained with different instruments may show significant variations in the measured relative peak intensities of a sample compound. This is mainly as a result of differences in their wavelength-dependent optical transmission and detector efficiencies. These variations can be particularly large when widely different laser excitation wavelengths are used, but can occur when the same laser excitation is used and spectra of the same compound are compared between instruments. This is illustrated in Fig. 1, which shows the uncorrected luminescence spectrum of SRM 2241, acquired upon four different commercially available Raman spectrometers operating with 785 nm laser excitation. Instrumental response variations can also occur on the same instrument after a component change or service work has been performed. Each spectrometer, due to its unique combination of filters, grating, collection optics and detector response, has a very unique spectral response. The spectrometer dependent spectral response will of course also affect the shape of Raman spectra acquired upon these systems. The shape of this response is not to be construed as either “good or bad” but is the result of design considerations by the spectrometer manufacturer. For instance, as shown in Fig. 1, spectral coverage can vary considerably between spectrometer systems. This is typically a deliberate tradeoff in spectrometer design, where spectral coverage is sacrificed for enhanced spectral resolution.
FIG. 1 SRM 2241 Measured on Four Commercial Raman Spectrometers Utilizing 785 nm Excitation  
4.2 Variations in spectral peak intensities can be mostly corrected through calibration of the Raman intensity (y) axis. The conventional method of calibration of the spectral response of a Raman...
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1.1 This guide is designed to enable the user to correct a Raman spectrometer for its relative spectral-intensity response function using NIST Standard Reference Materials2 in the 224X series (currently SRMs 2241, 2242, 2243, 2244, 2245, 2246), or a calibrated irradiance source. This relative intensity correction procedure will enable the intercomparison of Raman spectra acquired from differing instruments, excitation wavelengths, and laboratories.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 Because of the significant dangers associated with the use of lasers, ANSI Z136.1 or suitable regional standards should be followed in conjunction with this practice.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 When determining the limiting detectable concentration of a fluorescent substance, it is usually necessary to increase the readout scale of a photoelectric instrument to a point where noise (that is, random fluctuations of the system) becomes apparent. This noise will be superimposed upon the signal from the sample.  
4.2 In molecular fluorescence spectroscopy, the limit of detection for the sample will be determined by the limiting signal-to-noise ratio, S/N, where the signal, S, is the difference between readings obtained with the sample and blank solutions, and N is the total root-mean-square (rms) noise. The limit of detection for the sample will be given by the instrument readings that give a signal equal to three times the rms value of the noise.
Note 2: Factors other than noise affecting the sample concentration corresponding to the limit of detection include: the spectral bandwidths of the excitation and emission monochromators, the intensity of the exciting light that can be concentrated on the sample, the fraction of the fluorescence collected by the detection system, the response time of the detection system, and the purity of the solvent. The size and arrangement of the sample container with respect to the light beams are also important, as they affect both the desired signal and the extraneous signal that only contributes noise.
Note 3: The value of rms noise (N) can be obtained by calculating the standard deviation of a series of readings of the signal from the sample at the peak emission wavelength at approximately 450 nm as follows:
   where:
     =  mean of the series of readings,   x  =  value of the individual reading, and   n  =  number of readings.   Alternatively, rms noise may be estimated by noting the extreme differences between the members of a series of readings (peak-to-peak noise) and dividing by a factor that is usually taken to be 5.6, 7
SCOPE
1.1 This test method employs the signal-to-noise ratio to determine the sensitivity of a fluorescence measuring system in testing for the limit of detection (LOD) of quinine sulfate dihydrate in solution. The results obtained with quinine sulfate dihydrate in solution are suitable for specifying instrument performance on samples having excitation and fluorescence bands wider than 10 nm at or near room temperature.  
1.1.1 This test method is not intended to be used as (1) a rigorous test of performance of instrumentation, or (2), to intercompare the quantitative performance of instruments of different design. Intercomparison of the LOD between instruments is commonly expressed as the ratio of the water Raman peak intensity to the root-mean-square (rms) noise as measured on a fluorometer using an excitation wavelength of 350 nm This test method uses the excitation and emission peak wavelengths for quinine sulfate dihydrate in solution, which are approximately 350 nm and 450 nm, respectively.  
1.2 This test method has been applied to fluorescence-measuring systems utilizing non-laser, low-energy excitation sources. There is no assurance that extremely intense illumination will not cause photodecomposition2 of the compound suggested in this test method. For this reason, it is recommended that this test method not be indiscriminately employed with high intensity light sources. This test method is not intended to determine minimum detectable amounts of other materials. If this test method is extended to employ other chemical substances, the user should be aware of the possibility that these other substances may undergo decomposition or adsorption onto containers.  
1.3 A typical LOD for conventional fluorometers using this test method is 1 ng of quinine sulfate per mL.  
1.4 The suggested shelf life of a 1 mg/mL stock solution of quinine sulfate dihydrate is three months, when stored in the dark in a stoppered glass bottle.  
1.5 The values stated in SI units are to be regarded as standard. No o...

SIGNIFICANCE AND USE
4.1 These practices are intended for all infrared spectroscopists. For novices, these practices will serve as an overview of preparation, operation, and calculation techniques. For experienced persons, these practices will serve as a review when seldom-used techniques are needed.
SCOPE
1.1 These practices cover the techniques most often used in infrared quantitative analysis. Practices associated with the collection and analysis of data on a computer are included as well as practices that do not use a computer.  
1.2 This practice does not purport to address all of the concerns associated with developing a new quantitative method. It is the responsibility of the developer to ensure that the results of the method fall in the desired range of precision and bias.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. Specific hazard statements appear in Section 6, Note A4.7, Note A4.11, and Note A5.6.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SCOPE
1.1 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.2 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice permits an analyst to compare the performance of an NMR spectrometer for a particular test on any given day with the instrument's prior performance for that test. The practice can also provide sufficient quantitative performance information for problem diagnosis and solving. If complete information about how a test is carried out is supplied and sufficient replicates are collected to substantiate statistical relevance, the tests in this practice can be used to establish the setting and meeting of relevant performance specifications. This practice is not necessarily meant for the comparison of different instruments with each other, even if the instruments are of the same type and model. This practice is not meant for the comparison of the performance of different instruments operated under conditions differing from those specified for a particular test.
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1.1 This practice covers procedures for measuring and reporting the performance of Fourier-transform nuclear magnetic resonance spectrometers (FT-NMRs) using liquid samples.  
1.2 This practice is not directly applicable to FT-NMR spectrometers outfitted to measure gaseous, anisotropically structured liquid, semi-solid, or solid samples; those set up to work with flowing sample streams; or those used to make hyperpolarization measurements.  
1.3 This practice was expressly developed for FT-NMR spectrometers operating with proton resonance frequencies between 200 MHz and 1200 MHz.  
1.4 This practice is not directly applicable to continuous wave (scanning) NMR spectrometers.  
1.5 This practice is not directly applicable to instruments using single-sideband detection.  
1.6 Units—The values stated in SI units are to be regarded as the standard. No other units of measurement are included in this standard.  
1.7 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.8 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
3.1 Calibration of the responsivity of the detection system for emission (EM) as a function of EM wavelength (λEM), also referred to as spectral correction of emission, is necessary for successful quantification when intensity ratios at different EM wavelengths are being compared or when the true shape or peak maximum position of an EM spectrum needs to be known. Such calibration methods are given here and summarized in Table 1. This type of calibration is necessary because the spectral responsivity of a detection system can change significantly over its useful wavelength range (see Fig. 1). It is highly recommended that the wavelength accuracy (see Test Method E388) and the linear range of the detection system (see Guide E2719 and Test Method E578) be determined before spectral calibration is performed and that appropriate steps are taken to insure that all measured intensities during this calibration are within the linear range. For example, when using wide slit widths in the monochromators, attenuators may be needed to attenuate the excitation beam or emission, thereby, decreasing the fluorescence intensity at the detector. Also note that when using an EM polarizer, the spectral correction for emission is dependent on the polarizer setting. (2) It is important to use the same instrument settings for all of the calibration procedures mentioned here, as well as for subsequent sample measurements.  
FIG. 1 Example of Relative Spectral Responsivity of Emission Detection System (Grating Monochromator-PMT Based), (see Test Method E578) for which a Correction Needs to be Applied to a Measured Instrument-Specific Emission Spectrum to Obtain its True Spectral Shape (Relative Intensities).  
3.2 When using CCD or diode array detectors with a spectrometer for λEM selection, the spectral correction factors are dependent on the grating position of the spectrometer. Therefore, the spectral correction profile versus λEM must be determined separately for each grating position ...
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1.1 This practice (1)2 describes three methods for determining the relative spectral correction factors for grating-based fluorescence spectrometers in the ultraviolet-visible spectral range. These methods are intended for instruments with a 0°/90° transmitting sample geometry. Each method uses different types of transfer standards, including 1) a calibrated light source (CS), 2) a calibrated detector (CD) and a calibrated diffuse reflector (CR), and 3) certified reference materials (CRMs). The wavelength region covered by the different methods ranges from 250 nm to 830 nm with some methods having a broader range than others. Extending these methods to the near infrared (NIR) beyond 830 nm will be discussed briefly, where appropriate. These methods were designed for scanning fluorescence spectrometers with a single channel detector, but can also be used with a multichannel detector, such as a diode array or a CCD.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This test method covers the testing of the spectral bandwidth and wavelength accuracy of fluorescence spectrometers that use a monochromator for emission wavelength selection and photomultiplier tube detection. The method can be applied to instruments that use multi-element detectors, such as diode arrays, but results must be interpreted carefully. Atomic lines between 250 nm and 1000 nm are used in the method. The difference between the apparent wavelength and the known wavelength for a series of atomic emission lines is used as a test for wavelength accuracy. The apparent width of some of these lines is used as a test for spectral bandwidth.
SCOPE
1.1 This test method covers the testing of the spectral bandwidth and wavelength accuracy of fluorescence spectrometers that use a monochromator for emission wavelength selection and photomultiplier tube detection. This test method can be applied to instruments that use multi-element detectors, such as diode arrays, but results must be interpreted carefully. This test method uses atomic lines between 250 nm and 1000 nm.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Wavenumber calibration is an important part of Raman analysis. The calibration of a Raman spectrometer is performed or checked frequently in the course of normal operation and even more often when working at high resolution. To date, the most common source of wavenumber values is either emission lines from low-pressure discharge lamps (for example, mercury, argon, or neon) or from the non-lasing plasma lines of the laser. There are several good compilations of these well-established values (1-8).3 The disadvantages of using emission lines are that it can be difficult to align lamps properly in the sample position and the laser wavelength must be known accurately. With argon, krypton, and other ion lasers commonly used for Raman the latter is not a problem because lasing wavelengths are well known. With the advent of diode lasers and other wavelength-tunable lasers, it is now often the case that the exact laser wavelength is not known and may be difficult or time-consuming to determine. In these situations it is more convenient to use samples of known relative wavenumber shift for calibration. Unfortunately, accurate wavenumber shifts have been established for only a few chemicals. This guide provides the Raman spectroscopist with average shift values determined in seven laboratories for seven pure compounds and one liquid mixture.
SCOPE
1.1 This guide covers Raman shift values for common liquid and solid chemicals that can be used for wavenumber calibration of Raman spectrometers. The guide does not include procedures for calibrating Raman instruments. Instead, this guide provides reliable Raman shift values that can be used as a complement to low-pressure arc lamp emission lines which have been established with a high degree of accuracy and precision.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 Some of the chemicals specified in this guide may be hazardous. It is the responsibility of the user of this guide to consult material safety data sheets and other pertinent information to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to their use.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Assessment of the spectrometer resolution and instrument line shape (ILS) function of a Raman spectrometer is important for intercomparability of spectra obtained among widely varying spectrometer systems, if spectra are to be transferred among systems, if various sampling accessories are to be used, or if the spectrometer can be operated at more than one laser excitation wavelength.  
4.2 Low-pressure discharge lamps (pen lamps such as mercury, argon, or neon) provide a low-cost means to provide both resolution and wave number calibration for a variety of Raman systems over an extended wavelength range.  
4.3 There are several disadvantages in the use of emission lines for this purpose, however.  
4.3.1 First, it may be difficult to align the lamps properly with the sample position leading to distortion of the line, especially if the entrance slit of the spectrometer is underfilled or not symmetrically illuminated.  
4.3.2 Second, many of the emission sources have highly dense spectra that may complicate both resolution and wave number calibration, especially on low-resolution systems.  
4.3.3 Third, a significant contributor to line broadening of Raman spectral features may be the excitation laser line width itself, a component that is not assessed when evaluating the spectrometer resolution with pen lamps.  
4.3.4 An alternative would use a Raman active compound in place of the emission source. This compound should be chemically inert, stable, and safe and ideally should provide Raman bands that are evenly distributed from 0 cm-1 (Raman shift) to the C-H stretching region 3000 cm-1 and above. These Raman bands should be of varying bandwidth.  
4.4 To date, no such ideal sample has been identified; however carbon tetrachloride (see Practice E1683) and naphthalene (see Guide E1840) have been used previously for both resolution and Raman shift calibration.  
4.5 The use of calcite to assess the resolution of a Raman system will be addressed in this guide...
SCOPE
1.1 This guide is designed for routine testing and assessment of the spectral resolution of Raman spectrometers using either a low-pressure arc lamp emission lines or a calibrated Raman band of calcite.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 Because of the significant dangers associated with the use of lasers, ANSI Z136.1 shall be followed in conjunction with this practice.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 A scanning Raman spectrometer should be checked regularly to determine if its condition is adequate for routine measurements or if it has changed. This practice is designed to facilitate that determination and, if performance is unsatisfactory, to identify the part of the system that needs attention. These tests apply for single-, double-, or triple-monochromator scanning Raman instruments commercially available. They do not apply for multichannel or Fourier transform instruments, or for gated integrator systems requiring a pulsed laser source. Use of this practice is intended only for trained optical spectroscopists and should be used in conjunction with standard texts.
SCOPE
1.1 This practice covers routine testing of scanning Raman spectrometer performance and to assist in locating problems when performance has degraded. It is also intended as a guide for obtaining and reporting Raman spectra.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific precautions, see 7.2.1.  
1.4 Because of the significant dangers associated with the use of lasers, ANSI Z136.1 should be followed in conjunction with this practice.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice permits an analyst to compare the performance of an instrument to the manufacturer's supplied performance specifications and to verify its suitability for continued routine use. It also provides generation of calibration monitoring data on a periodic basis, forming a base from which any changes in the performance of the instrument will be evident.
SCOPE
1.1 This practice covers the parameters of spectrophotometric performance that are critical for testing the adequacy of instrumentation for most routine tests and methods2 within the wavelength range of 200 nm to 700 nm and the absorbance range of 0 to 2. The recommended tests provide a measurement of the important parameters controlling results in spectrophotometric methods, but it is specifically not to be inferred that all factors in instrument performance are measured.  
1.2 This practice may be used as a significant test of the performance of instruments for which the spectral bandwidth does not exceed 2 nm and for which the manufacturer's specifications for wavelength and absorbance accuracy do not exceed the performance tolerances employed here. This practice employs an illustrative tolerance of ±1 % relative for the error of the absorbance scale over the range of 0.2 to 2.0, and of ±1.0 nm for the error of the wavelength scale. A suggested maximum stray radiant power ratio of 4 × 10-4 yields E275 to extensively evaluate the performance of an instrument.  
1.3 This practice should be performed on a periodic basis, the frequency of which depends on the physical environment within which the instrumentation is used. Thus, units handled roughly or used under adverse conditions (exposed to dust, chemical vapors, vibrations, or combinations thereof) should be tested more frequently than those not exposed to such conditions. This practice should also be performed after any significant repairs are made on a unit, such as those involving the optics, detector, or radiant energy source.  
1.4 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 By following the general guidelines (Section 5) and instrument calibration methods (Sections 6 – 16) in this guide, users should be able to more easily conform to good laboratory and manufacturing practices (GXP) and comply with regulatory and QA/QC requirements, related to fluorescence measurements.  
4.2 Each instrument parameter needing calibration (for example, wavelength, spectral responsivity) is treated in a separate section. A list of different calibration methods is given for each instrument parameter with a brief usage procedure. Precautions, achievable precision and accuracy, and other useful information are also given for each method to allow users to make a more informed decision as to which method is the best choice for their calibration needs. Additional details for each method can be found in the references given.
SCOPE
1.1 This guide (1)2 lists the available materials and methods for each type of calibration or correction for fluorescence instruments (spectral emission correction, wavelength accuracy, and so forth) with a general description, the level of quality, precision and accuracy attainable, limitations, and useful references given for each entry.  
1.2 The listed materials and methods are intended for the qualification of fluorometers as part of complying with regulatory and other quality assurance/quality control (QA/QC) requirements.  
1.3 Precision and accuracy or uncertainty are given at a 1 σ confidence level and are approximated in cases where these values have not been well established.3  
1.4 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 These practices are a source of general information on the techniques of ultraviolet and visible quantitative analyses. They provide the user with background information that should help ensure the reliability of spectrophotometric measurements.  
4.2 These practices are not intended as a substitute for a thorough understanding of any particular analytical method. It is the responsibility of the users to familiarize themselves with the critical details of a method and the proper operation of the available instrumentation.
SCOPE
1.1 These practices are intended to provide general information on the techniques most often used in ultraviolet and visible quantitative analysis. The purpose is to render unnecessary the repetition of these descriptions of techniques in individual methods for quantitative analysis.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
6.1 General Coding Guidelines—The NetCDF libraries are supplied to developers as source code. End users receive the libraries in compiled binary form as part of a vendor’s application.  
6.1.1 Some vendors found that compilation using the huge memory model under Microsoft Windows on MS-DOS was needed because of an array pointer passing its boundary. Many vendors chose to write a conversion program as a stand-alone DOS application, whereby the conversion program used only text-mode screen I/O. Some vendors are now using it in their MS-Windows applications.  
6.1.2 Developers setting out to write a program to convert their data files to the Chromatographic Data Protocol should use the NetCDF utilities ncgen and ncdump. Applying the ncgen utility to the CHROMSTD.CDL template will generate the skeletal code needed to create the NetCDF file. The programmer can then modify the code to create a program that reads the netDCF file from another vendor. After developers create the NetCDF file they should use the ncdump program to generate the ASCII representation of the data files, and examine it to ensure the data is being correctly put into the file.  
6.2 Make Files for NetCDF Libraries and Utilities—In general the compilation is straightforward. The make files were modified after they were received from the Unidata Corporation, because they did not compile the first time on PCs. The changes needed to get the Unidata distribution to run on DOS are (1) rename the file MAKEFILE to UNIX.MK, and (2) rename MSOFT.MK to MAKEFILE, and then run NMAKE. The default switches in the Unidata distribution use the switches for the floating point coprocessor and Microsoft Windows options.  
6.2.1 The protocol contain some complete makefile examples for Microsoft C V6.0 running on DOS. The Microsoft C V6.0 compiler manual should be consulted for the exact meaning of the compiler and linker options.  
6.2.2 The VMS and SunOS compilation instructions are in directories for those operatin...
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1.1 This guide covers the implementation of the Chromatographic Data Protocol in analytical software applications. Implementation of this protocol requires:  
1.1.1 Specification E1947, which contains the full set of data definitions. The chromatographic data protocol is not based upon any specific implementation; it is designed to be independent of any particular implementation, so that implementations can change as technology evolves. The protocol is implemented in stages, to speed its acceptance through actual use.  
1.1.2 Specification E1947 contains a full description of the contents of the data communications protocol, including the analytical information categories with data elements and their attributes for most aspects of chromatographic tests.  
1.2 The Analytical Information Categories are a practical convenience for breaking down the standardization process into smaller, more manageable pieces. It is easier for developers to build consensus and produce working systems based on smaller information sets, without the burden and complexity of the hundreds of data elements contained in all the categories. The categories also assist vendors and end users in using the guide in their computing environments.  
1.3 The NetCDF Data Interchange System is the container used to communicate data between applications in a way that is independent of both computer architectures and end-user applications. In essence, it is a special type of application designed for data interchange.  
1.4 The Common Data Language (CDL) Template for Chromatography is a language specification of the chromatography dataset being interchanged. With the use of the NetCDF utilities, this human-readable template can be used to generate an equivalent binary file and the software subroutine calls needed for input and output of data in analytical applications.  
1.5 This international standard was developed in accordance with internationally recogn...

ABSTRACT
This specification covers an analytical data interchange protocol for chromatographic data representation and a software vehicle to affect the transfer of chromatographic data between instrument data systems. This protocol, which is designed to benefit users of analytical instruments and increase laboratory productivity and efficiency, provides a standardized format for the creation of raw data files or results files in the ".cdf" extension. The contents of the file include typical header in formation like instrument, column, detector, and operator description followed by raw or processed data, or both. Once data have been written or converted to this protocol, they can be read and processed by software packages that support the protocol. The end purpose of this protocol is intended to (1) transfer data between various vendors' instrument systems, (2) provide LIMS communications, (3) link data to document processing applications, (4) link data to spreadsheet applications, and ( 5) archive analytical data, or a combination thereof.
SCOPE
1.1 This specification covers a standardized format for chromatographic data representation and a software vehicle to effect the transfer of chromatographic data between instrument data systems. This specification provides protocol designed to benefit users of analytical instruments and increase laboratory productivity and efficiency.  
1.2 The protocol in this specification provides a standardized format for the creation of raw data files or results files. This standard format has the extension “.cdf” (derived from NetCDF). The contents of the file include typical header information like instrument, column, detector, and operator description followed by raw or processed data, or both. Once data have been written or converted to this protocol, they can be read and processed by software packages that support the protocol.  
1.3 The software transfer vehicle used for the protocol in this specification is NetCDF, which was developed by the Unidata Program and is funded by the Division of Atmospheric Sciences of the National Science Foundation.2  
1.4 The protocol in this specification is intended to (1) transfer data between various vendors' instrument systems, (2) provide LIMS communications, (3) link data to document processing applications, (4) link data to spreadsheet applications, and (5) archive analytical data, or a combination thereof. The protocol is a consistent, vendor independent data format that facilitates the analytical data interchange for these activities.  
1.5 The protocol consists of:  
1.5.1 This specification on chromatographic data, which gives the full definitions for each one of the generic chromatographic data elements used in implementation of the protocol. It defines the analytical information categories, which are a convenient way for sorting analytical data elements to make them easier to standardize.  
1.5.2 Guide E1948 on chromatographic data, which gives the full details on how to implement the content of the protocol using the public-domain NetCDF data interchange system. It includes a brief introduction to using NetCDF. It is intended for software implementors, not those wanting to understand the definitions of data in a chromatographic dataset.  
1.5.3 NetCDF User’s Guide.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
5.1 Stray radiant power can be a significant source of error in spectrophotometric measurements. SRP usually increases with the passage of time; therefore, testing should be performed periodically. Moreover, the SRPR test is an excellent indicator of the overall condition of a spectrophotometer. A control-chart record of the results of routinely performed SRPR tests can be a useful indicator of need for corrective action or, at least, of the changing reliability of critical measurements.  
5.2 This test method provides a means of determining the stray radiant power ratio of a spectrophotometer at selected wavelengths in a spectral range, as determined by the SRP filter used, thereby revealing those wavelength regions where significant photometric errors might occur. It does not provide a means of calculating corrections to indicated absorbance (or transmittance) values. The test method must be used with care and understanding, as erroneous results can occur, especially with respect to some modern grating instruments that incorporate moderately narrow bandpass SRP-blocking filters. This test method does not provide a basis for comparing the performance of different spectrophotometers.
Note 8: Kaye (3) discusses correction methods of measured transmittances (absorbances) that sometimes can be used if sufficient information on the properties and performance of the instrument can be acquired. See also A1.2.5.  
5.3 This test method describes the performance of a spectrophotometer in terms of the specific test parameters used. When an analytical sample is measured, absorption by the sample of radiation outside of the nominal bandpass at the analytical wavelength can cause a photometric error, underestimating the transmittance or overestimating the absorbance, and correspondingly underestimating the SRPR.  
5.4 The SRPR indicated by this test method using SRP filters is almost always an underestimation of the true value (see 1.3). A value cited in a manufacturer’s li...
SCOPE
1.1 Stray radiant power (SRP) can be a significant source of error in spectrophotometric measurements, and the danger that such error exists is enhanced because its presence often is not suspected (1-4).2 This test method affords an estimate of the relative radiant power, that is, the Stray Radiant Power Ratio (SRPR), at wavelengths remote from those of the nominal bandpass transmitted through the monochromator of an absorption spectrophotometer. Test-filter materials are described that discriminate between the desired wavelengths and those that contribute most to SRP for conventional commercial spectrophotometers used in the ultraviolet, the visible, the near infrared, and the mid-infrared ranges. These procedures apply to instruments of conventional design, with usual sources, detectors, including array detectors, and optical arrangements. The vacuum ultraviolet and the far infrared present special problems that are not discussed herein.
Note 1: Research (3) has shown that particular care must be exercised in testing grating spectrophotometers that use moderately narrow bandpass SRP-blocking filters. Accurate calibration of the wavelength scale is critical when testing such instruments. Refer to Practice E275.  
1.2 These procedures are neither all-inclusive nor infallible. Because of the nature of readily available filter materials, with a few exceptions, the procedures are insensitive to SRP of very short wavelengths in the ultraviolet, or of lower frequencies in the infrared. Sharp cutoff longpass filters are available for testing for shorter wavelength SRP in the visible and the near infrared, and sharp cutoff shortpass filters are available for testing at longer visible wavelengths. The procedures are not necessarily valid for “spike” SRP nor for “nearby SRP.” (See Annexes for general discussion and definitions of these terms.) However, they are adequate in most cases and for typical applications. They do cover...

SIGNIFICANCE AND USE
4.1 This practice permits an analyst to compare the general performance of an instrument, as it is being used in a specific spectrophotometric method, with the performance of instruments used in developing the method.
SCOPE
1.1 This practice covers the description of requirements of spectrophotometric performance, especially for test methods, and the testing of the adequacy of available equipment for a specific method (for example, qualification for a given application). The tests give a measurement of some of the important parameters controlling results obtained in spectrophotometric methods, but it is specifically not to be concluded that all the factors in instrument performance are measured, or in fact may be required for a given application.  
1.1.1 This practice is primarily directed to dispersive spectrophotometers used for transmittance measurements rather than instruments designed for diffuse transmission and diffuse reflection.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Many characteristics of a fiber-optic waveguide affect the dynamic performance. Quantitative values of certain key parameters (characteristics) need to be known, a priori, in order to predict or evaluate the dynamic performance of a waveguide for specific conditions of use. This guide identifies these key parameters and provides information on their significance and how they affect performance. However, this guide does not describe how the needed quantitative information is to be obtained. Manufacturers of fiber-optic waveguides can use this guide for characterizing their products suitably for users who are concerned with dynamic performance. Users of fiber-optic waveguides can use this guide to determine that their waveguides are adequately characterized for their intended application.
SCOPE
1.1 This guide covers the key parameters that determine the dynamic performance of an optical radiation transmitting fiber waveguide (see Note 1). For the purpose of this guide, optical radiation is electromagnetic radiation of wavelengths from about 200 nm to about 5000 nm (correspondingly, frequencies of 50 000 cm−1 to 2000 cm−1, and photon energies of 6 eV to 0.25 eV).
Note 1: Typical designations of radiation transmitting fiber waveguides include optical waveguide, fiber-optic, fiber-optic waveguide, and fiber-optic radiation guide.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Ionizing environments will affect the performance of optical fibers/cables being used to transmit spectroscopic information from a remote location. Determination of the type and magnitude of the spectral attenuation or interferences, or both, produced by the ionizing radiation in the fiber is necessary for evaluating the performance of an optical fiber sensor system.  
4.2 The results of the test can be utilized as a selection criteria for optical fibers used in optical fiber spectroscopic sensor systems.
Note 1: The attenuation of optical fibers generally increases when exposed to ionizing radiation. This is due primarily to the trapping of radiolytic electrons and holes at defect sites in the optical materials, that is, the formation of color centers. The depopulation of these color centers by thermal and/or optical (photobleaching) processes, or both, causes recovery, usually resulting in a decrease in radiation-induced attenuation. Recovery of the attenuation after irradiation depends on many variables, including the temperature of the test sample, the composition of the sample, the spectrum and type of radiation employed, the total dose applied to the test sample, the light level used to measure the attenuation, and the operating spectrum. Under some continuous conditions, recovery is never complete.
SCOPE
1.1 This guide covers a method for measuring the real time, in situ radiation-induced spectral attenuation of multimode, step index, silica optical fibers transmitting unpolarized light. This procedure specifically addresses steady-state ionizing radiation (that is, alpha, beta, gamma, protons, etc.) with appropriate changes in dosimetry, and shielding considerations, depending upon the irradiation source.  
1.2 This test procedure is not intended to test the balance of the optical and non-optical components of an optical fiber-based system, but may be modified to test other components in a continuous irradiation environment.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Ionizing environments will affect the performance of optical fibers/cables being used to transmit spectroscopic information from a remote location. Determination of the type and magnitude of the spectral variations or interferences produced by the ionizing radiation in the fiber, or both, is necessary for evaluating the performance of an optical fiber sensor system.  
4.2 The results of the test can be utilized as a selection criteria for optical fibers used in optical fiber Raman spectroscopic sensor systems.
Note 1: The attenuation of optical fibers generally increases when they are exposed to ionizing radiation. This is due primarily to the trapping of radiolytic electrons and holes at defect sites in the optical materials, that is, the formation of color centers. The depopulation of these color centers by thermal or optical (photobleaching) processes, or both, causes recovery, usually resulting in a decrease in radiationinduced attenuation. Recovery of the attenuation after irradiation depends on many variables, including the temperature of the test sample, the composition of the sample, the spectrum and type of radiation employed, the total dose applied to the test sample, the light level used to measure the attenuation, and the operating spectrum. Under some continuous conditions, recovery is never complete.
SCOPE
1.1 This guide covers the method for measuring the real time, in situ radiation-induced alterations to the Raman spectral signal transmitted by a multimode, step index, silica optical fiber. This guide specifically addresses steady-state ionizing radiation (that is, alpha, beta, gamma, protons, etc.) with appropriate changes in dosimetry, and shielding considerations, depending upon the irradiation source.  
1.2 The test procedure given in this guide is not intended to test the other optical and non-optical components of an optical fiber-based Raman sensor system, but may be modified to test other components in a continuous irradiation environment.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
5.1 Most commercial reflectometers and spectrophotometers with reflectance capability measure relative reflectance. The instrument reading is the ratio of the measured radiation reflected from the reference specimen to the measured radiation reflected by the test specimen. That ratio is dependent on specific instrument parameters.  
5.2 National standardizing laboratories and some research laboratories measure reflectance on instruments calibrated from basic principles, thereby establishing a scale of absolute reflectance as described in CIE Publication No. 44 (5). These measurements are sufficiently difficult and of prohibitive cost that they are usually left to laboratories that specialize in them.  
5.3 A standard that has been measured on an absolute scale could be used to transfer that scale to a reflectometer. While such procedures exist, the constraints placed on the mechanical properties restrict the suitability of some of the optical properties, especially those properties related to the geometric distribution of reflected radiation. Thus, reflectance factor standards that are sufficiently rugged or cleanable to use as permanent transfer standards, with the exception of the sintered PTFE standards, depart considerably from the perfect diffuser in the geometric distribution of reflected radiation.  
5.4 The geometric distribution of reflected radiance from such standards is sufficiently diffuse that such a standard can provide a dependable calibration of a directional-hemispherical or certain directional-directional reflectometers. Although pressed powder standards are subject to contamination and breakage, the reflectance factor of pressed powder can be sufficiently reproducible from specimen to specimen from a given lot of powder to allow the assignment of absolute reflectance factor values to all of the powder in a lot.  
5.5 Sintered PTFE materials exhibit sufficient reproducibility from within the same specimen after resurfacing or cleaning the spec...
SCOPE
1.1 This practice covers procedures for the preparation and use of acceptable transfer standards for NIR spectrophotometers. Procedures for calibrating the reflectance factor of materials on an absolute basis are contained in CIE Publication No. 44 (9). Both the pressed powder samples and the sintered PTFE materials are used as transfer standards for such calibrations because they have very stable reflectance factors that are nearly constant with wavelength and because the distribution of flux resembles closely that from the perfect reflecting diffuser.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
5.1 This technique is designed for on-site rapid screening and characterization of environmental soil and water samples resulting in significant cost savings for environmental remediation projects. Remote analysis can be made with optical fibers when situations warrant or demand use of this option.  
5.2 Quantification of total AHs and PAHs in these environmental samples is accomplished by having a subset of the samples analyzed by an alternate technique and generating a site-specific calibration curve.  
5.3 Synchronous fluorescence provides sufficient spectral information to characterize the AHs and PAHs present as benzene, toluene, ethylbenzene and xylene(s) (BTEX), the aromatic portion of total petroleum hydrocarbons (TPH), or large aromatic ring systems up to at least seven fused rings, such as might be found in creosote.
SCOPE
1.1 This test method covers a rapid method for the screening of environmental samples for aromatic hydrocarbons (AHs) and polycyclic aromatic hydrocarbons (PAHs). The screening takes place in the field and provides immediate feedback on limits of contamination by substances containing AHs and PAHs. Quantification is obtained by the use of appropriately characterized, site-specific calibration curves. Remote sensing by use of optical fibers is useful for accessing difficult to reach areas or potentially dangerous materials or situations. When contamination of field personnel by dangerous materials is a possibility, use of remote sensors may minimize or eliminate the likelihood of such contamination taking place.  
1.2 This test method is applicable to AHs and PAHs present in samples extracted from soils or in water. This test method is applicable for field screening or, with an appropriate calibration, quantification of total AHs and PAHs.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
3.1 This terminology was drafted to exclude any commercial relevance to any one vendor by using only general terms that are acknowledged by all vendors and should be revised as charge-coupled device (CCD) technology matures. This terminology uses standard explanations, symbols, and abbreviations.
SCOPE
1.1 This terminology brings together and clarifies the basic terms and definitions used with scientific grade cooled charge-coupled device (CCD) detectors, thus allowing end users and vendors to use common documented terminology when evaluating or discussing these instruments. CCD detectors are sensitive to light in the region from 200 nm to 1100 nm and the terminology outlined in the document is based on the detection technology developed around CCDs for this range of the spectrum.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice permits an analyst to compare the general performance of an instrument on any given day with the prior performance of an instrument. This practice is not necessarily meant for comparison of different instruments with each other even if the instruments are of the same type and model. This practice is not meant for comparison of the performance of one instrument operated under differing conditions.
SCOPE
1.1 This practice describes two levels of tests to measure the performance of laboratory Fourier transform mid-infrared (FT-MIR) spectrometers equipped with a standard sample holder used for transmission measurements.  
1.2 This practice is not directly applicable to Fourier transform infrared (FT-IR) spectrometers equipped with various specialized sampling accessories such as flow cells or reflectance optics, nor to Fourier transform near-infrared (FT-NIR) spectrometers, nor to FT-IR spectrometers run in step scan mode.  
1.2.1 If the specialized sampling accessory can be removed and replaced with a standard transmission sample holder, then this practice can be used. However, the user should recognize that the performance measured may not reflect that which is achieved when the specialized accessory is in use.  
1.2.2 If the specialized sampling accessory cannot be removed, then it may be possible to employ a modified version of this practice to measure spectrometer performance. The user is referred to Guide E1866 for a discussion of how these tests may be modified.  
1.2.3 Spectrometer performance tests for FT-NIR spectrometers are described in Practice E1944.  
1.2.4 Performance tests for dispersive MIR instruments are described in Practice E932.  
1.2.5 For FT-IR spectrometers run in a step scan mode, variations on this practice and information provided by the instrument vendor should be used.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3.1 Exception—Informational inch-pound units are provided in 5.4.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 An OP/FT-IR monitor can, in principle, measure the concentrations of all IR-active gases and vapors in the atmosphere. Detailed descriptions of OP/FT-IR systems and the fundamental aspects of their operation are given in Practice E1685 and the FT-IR Open-Path Monitoring Guidance Document. A method for processing OP/FT-IR data to obtain the concentrations of gases over a long, open path is given in Compendium Method TO-16. Applications of OP/FT-IR systems include monitoring for gases and vapors in ambient air, along the perimeter of an industrial facility, at hazardous waste sites and landfills, in response to accidental chemical spills or releases, and in workplace environments.
SCOPE
1.1 This practice covers procedures for using active open-path Fourier transform infrared (OP/FT-IR) monitors to measure the concentrations of gases and vapors in air. Procedures for choosing the instrumental parameters, initially operating the instrument, addressing logistical concerns, making ancillary measurements, selecting the monitoring path, acquiring data, analyzing the data, and performing quality control on the data are given. Because the logistics and data quality objectives of each OP/FT-IR monitoring program will be unique, standardized procedures for measuring the concentrations of specific gases are not explicitly set forth in this practice. Instead, general procedures that are applicable to all IR-active gases and vapors are described. These procedures can be used to develop standard operating procedures for specific OP/FT-IR monitoring applications.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This practice does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this practice to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Infrared spectroscopy is the most widely used technique for identifying organic and inorganic materials. This practice describes methods for the proper application of infrared spectroscopy.
SCOPE
1.1 This practice covers the spectral range from 4000 cm−1 to 50 cm−1 and includes techniques that are useful for qualitative analysis of liquid-, solid-, and vapor-phase samples by infrared spectrometric techniques for which the amount of sample available for analysis is not a limiting factor. These techniques are often also useful for recording spectra at frequencies higher than 4000 cm–1, in the near-infrared region.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. Specific precautions are given in 6.5.1.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This guide is intended for users of OP/FT-IR monitors. Applications of OP/FT-IR systems include monitoring for hazardous air pollutants in ambient air, along the perimeter of an industrial facility, at hazardous waste sites and landfills, in response to accidental chemical spills or releases, and in workplace environments.
SCOPE
1.1 This guide covers active open-path Fourier transform infrared (OP/FT-IR) monitors and provides guidelines for using active OP/FT-IR monitors to obtain concentrations of gases and vapors in air.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Although it is possible to observe and measure each of the several characteristics of a detector under different and unique conditions, it is the intent of this practice that a complete set of detector specifications should be obtained under the same operating conditions. It should also be noted that to completely specify a detector’s capability, its performance should be measured at several sets of conditions within the useful range of the detector. The terms and tests described in this practice are sufficiently general that they may be used regardless of the ultimate operating parameters.  
4.2 Linearity and response time of the recorder or other readout device used should be such that they do not distort or otherwise interfere with the performance of the detector. This requires adjusting the gain, damping, and calibration in accordance with the manufacturer's directions. If additional electronic filters or amplifiers are used between the detector and the final readout device, their characteristics should also first be established.
SCOPE
1.1 This practice is intended to serve as a guide for the testing of the performance of a photometric detector (PD) used as the detection component of a liquid-chromatographic (LC) system operating at one or more fixed wavelengths in the range 210 nm to 800 nm. Measurements are made at 254 nm, if possible, and are optional at other wavelengths.  
1.2 This practice is intended to describe the performance of the detector both independently of the chromatographic system (static conditions) and with flowing solvent (dynamic conditions).  
1.3 For general liquid chromatographic procedures, consult Refs (1-9).2  
1.4 For general information concerning the principles, construction, operation, and evaluation of liquid-chromatography detectors, see Refs (10 and 11) in addition to the sections devoted to detectors in Refs (1-7).  
1.5 This standard does not purport to address all of the safety problems, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice is intended for all infrared spectroscopists who are using dispersive instruments for qualitative or quantitative areas of analysis.  
4.2 The purpose of this practice is to set forth performance guidelines for testing instruments used in developing an analytical method. These guidelines can be used to compare an instrument in a specific application with the instrument(s) used in developing the method.  
4.3 An infrared procedure must include a description of the instrumentation and of the performance needed to duplicate the precision and accuracy of the method.
SCOPE
1.1 This practice covers the necessary information to qualify dispersive infrared instruments for specific analytical applications, and especially for methods developed by ASTM International.  
1.2 This practice is not to be used as a rigorous test of performance of instrumentation.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
3.1 The range of concentration of a fluorescing substance in solution over which the fluorescence varies linearly with the concentration is the range most useful for quantitative analysis. This range is affected by properties of the solution under analysis and by features of the measuring system. This test method provides a means of testing the performance of a fluorescence measuring system and of determining the concentration range over which the system is suitable for making a given quantitative analysis.  
3.2 This test method is not meant for comparing the performance of different fluorescence measuring instruments.
SCOPE
1.1 This test method covers a procedure for evaluating the limits of the linearity of response with fluorescence intensity of fluorescence-measuring systems under operating conditions. Particular attention is given to slit widths, filters, and sample containers. This test method can be used to test the overall linearity under a wide variety of instrumental and sampling conditions. The results obtained apply only to the tested combination of slit width and filters, and the size, type and illumination of the sample cuvette, all of which must be stated in the report. The sources of nonlinearity may be the measuring electronics, excessive absorption of either the exciting or emitted radiation, or both, and the sample handling technique, particularly at low concentrations.  
1.2 This test method has been applied to fluorescence-measuring systems utilizing continuous and low-energy excitation sources (for example, an excitation source of 450 W electrical input or less). There is no assurance that extremely intense illumination will not cause photodecomposition of the compounds suggested in this test method.2 For this reason it is recommended that this test method not be indiscriminately employed with high-intensity light sources. It is not a test method to determine the linearity of response of other materials. If this test method is extended to employ other chemical substances, the principles within can be applied, but new material parameters, such as the concentration range of linearity, must be established. The user should be aware of the possibility that these other substances may undergo decomposition, or adsorption onto containers.  
1.3 This test method has been applied to fluorescence-measuring systems utilizing a single detector, that is, a photomultiplier tube or a single photodiode. It has not been demonstrated if this method is effective for photo-array instruments such as those using a CCD or a diode array detector.  
1.4 This test method is applicable to 10 mm pathlength cuvette formats and instruments covering a wavelength range within 190 nm to 900 nm. The use of other sample formats has not been established with this test method.  
1.5 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.6 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.7 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice presents the terms, parameters, symbols, units, and relationships used in gas elution chromatography. Most of the terms described herein should also apply to other kinds of gas chromatography and various liquid column chromatographic techniques. At this time, however, they are not standardized for the latter usage. These terms include names of techniques, apparatuses and reagents, parameters used in data recording and presentation of isothermal retention data, and retention parameters.
SCOPE
1.1 This practice covers primarily the terms and relationships used in gas elution chromatography. However, most of the terms should also apply to other kinds of gas chromatography and are also valid in the various liquid column chromatographic techniques, although at this time they are not standardized for the latter usage.  
1.2 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice permits an analyst to compare the general performance of a laboratory instrument on any given day with the prior performance of that instrument. This practice is not intended for comparison of different instruments with each other, nor is it directly applicable to dedicated process FT-NIR analyzers. This practice requires the use of a check sample compatible with the instrument under test as described in 5.3.
SCOPE
1.1 This practice covers two levels of tests to measure the performance of laboratory Fourier transform near infrared (FT-NIR) spectrometers. This practice applies to the short-wave near infrared region, approximately 800 nm (12 500 cm–1) to 1100 nm (9090.91 cm–1); and the long-wavelength near infrared region, approximately 1100 nm (9090.91 cm–1) to 2500 nm (4000 cm–1). This practice is intended mainly for transmittance measurements of gases and liquids, although it is broadly applicable for reflectance measurements.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
3.1 Although it is possible to observe and measure each of the several characteristics of a detector under different and unique conditions, it is the intent of this practice that a complete set of detector specifications should be obtained at the same operating conditions. It should be noted also that to specify a detector’s capability completely, its performance should be measured at several sets of conditions within the useful range of the detector. The terms and tests described in this practice are sufficiently general so that they may be used at whatever conditions may be chosen for other reasons.  
3.2 Linearity and speed of response of the recorder used should be such that it does not distort or otherwise interfere with the performance of the detector. Effective recorder response, Refs. (5, 6) in particular, should be sufficiently fast that it can be neglected in sensitivity of measurements. If additional amplifiers are used between the detector and the final readout device, their characteristics should also first be established.
SCOPE
1.1 This practice is intended to serve as a guide for the testing of the performance of a thermal conductivity detector (TCD) used as the detection component of a gas chromatographic system.  
1.2 This practice is directly applicable to thermal conductivity detectors which employ filament (hot wire) or thermistor sensing elements.  
1.3 This practice is intended to describe the performance of the detector itself independently of the chromatographic column, in terms which the analyst can use to predict overall system performance when the detector is coupled to the column and other chromatography system components.  
1.4 For general gas chromatographic procedures, Practice E260 should be followed except where specific changes are recommended herein for the use of a TCD. For definitions of gas chromatography and its various terms see Practice E355.  
1.5 For general information concerning the principles, construction, and operation of TCD see Refs. (1-4).2  
1.6 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.7 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific safety information, see Section 4.3  
1.8 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice is intended as a guide for the use of a flame photometric detector (FPD) as the detection component of a gas chromatographic system. The different principles of flame photometric detectors, and detector construction are presented in details. The detector sensitivity, minimum detectability, dynamic range, power law of sulphur response, linear range-phosphorus mode, unipower response range, noise and drift, and specificity are presented in details. The photomultiplier dark current is the magnitude of the FPD output signal measured with the FPD flame off. Flame background current is the difference in FPD output signal with the flame on and with the flame off in the absence of phosphorus or sulfur compounds in the flame.
SCOPE
1.1 This practice is intended as a guide for the use of a flame photometric detector (FPD) as the detection component of a gas chromatographic system.  
1.2 This practice is directly applicable to an FPD that employs a hydrogen-air flame burner, an optical filter for selective spectral viewing of light emitted by the flame, and a photomultiplier tube for measuring the intensity of light emitted.  
1.3 This practice describes the most frequent use of the FPD which is as an element-specific detector for compounds containing sulfur (S) or phosphorus (P) atoms. However, nomenclature described in this practice are also applicable to uses of the FPD other than sulfur or phosphorus specific detection.  
1.4 This practice is intended to describe the operation and performance of the FPD itself independently of the chromatographic column. However, the performance of the detector is described in terms which the analyst can use to predict overall system performance when the detector is coupled to the column and other chromatographic system components.  
1.5 For general gas chromatographic procedures, Practice E260 should be followed except where specific changes are recommended herein for use of an FPD.  
1.6 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.7 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific safety information, see Section 4, Hazards.  
1.8 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 These practices provide general guidelines for the good practice of internal reflection infrared spectroscopy.
SCOPE
1.1 These practices provide general recommendations covering the various techniques commonly used in obtaining internal reflection spectra.2,3 Discussion is limited to the infrared region of the electromagnetic spectrum and includes a summary of fundamental theory, a description of parameters that determine the results obtained, instrumentation most widely used, practical guidelines for sampling and obtaining useful spectra, and interpretation features specific for internal reflection.  
1.2 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.3 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 If ASTM Committee E13 has not specified an appropriate test procedure for a specific type of spectrophotometer, or if the sample specified by a Committee E13 procedure is incompatible with the intended spectrophotometer operation, then this guide can be used to develop practical performance tests.  
4.1.1 For spectrophotometers which are equipped with permanent or semi-permanent sampling accessories, the test sample specified in a Committee E13 practice may not be compatible with the spectrophotometer configuration. For example, for FT-MIR instruments equipped with transmittance or IRS flow cells, tests based on polystyrene films are impractical. In such cases, these guidelines suggest means by which the recommended test procedures can be modified so as to be performed on a compatible test material.  
4.1.2 For spectrophotometers used in process measurements, the choice of test materials may be limited due to process contamination and safety considerations. These guidelines suggest means of developing performance tests based on materials which are compatible with the intended use of the spectrophotometer.  
4.2 Tests developed using these guidelines are intended to allow the user to compare the performance of a spectrophotometer on any given day with prior performance. The tests are intended to uncover malfunctions or other changes in instrument operation, but they are not designed to diagnose or quantitatively assess the malfunction or change. The tests are not intended for the comparison of spectrophotometers of different manufacture.
SCOPE
1.1 This guide covers basic procedures that can be used to develop spectrophotometer performance tests. The guide is intended to be applicable to spectrophotometers operating in the ultraviolet, visible, near-infrared and mid-infrared regions.  
1.2 This guide is not intended as a replacement for specific practices such as Practices E275, E925, E932, E958, E1421, or E1683 that exist for measuring performance of specific types of spectrophotometers. Instead, this guide is intended to provide guidelines in how similar practices should be developed when specific practices do not exist for a particular spectrophotometer type, or when specific practices are not applicable due to sampling or safety concerns. This guide can be used to develop performance tests for on-line process spectrophotometers.  
1.3 This guide describes univariate level zero and level one tests, and multivariate level A and level B tests which can be implemented to measure spectrophotometer performance. These tests are designed to be used as rapid, routine checks of spectrophotometer performance. They are designed to uncover malfunctions or other changes in instrument operation, but do not specifically diagnose or quantitatively assess the malfunction or change. The tests are not intended for the comparison of spectrophotometers of different manufacture.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
5.1 This practice is intended to be used by all analysts using fused silica capillary chromatography. It contains the recommended steps for installation, preparation, proper installation, and continued column maintenance.
SCOPE
1.1 This practice covers the installation and maintenance of fused silica capillary columns in gas chromatographs that are already retrofitted for their use. This practice excludes information on:  
1.1.1 Injection techniques.  
1.1.2 Column selection.  
1.1.3 Data acquisition.  
1.1.4 System troubleshooting and maintenance.  
1.2 For additional information on gas chromatography, please refer to Practice E260. For specific precautions, see 7.2.2.2(1), 7.2.2.2(2), 7.2.7, and 7.2.7.2.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific safety information, see Section 6, 7.2.2.2(1), 7.2.2.2(2), 7.2.7, and 7.2.7.2.2  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 These practices should be used by a person who develops an analytical method to ensure that the spectral bandwidths cited in the practice are actually the ones used.
Note 2: The method developer should establish the spectral bandwidths that can be used to obtain satisfactory results.  
4.2 These practices should be used to determine whether a spectral bandwidth specified in a method can be realized with a given spectrophotometer and thus whether the instrument is suitable for use in this application. If accurate absorbance measurements are to be made on compounds with sharp absorption bands (natural half band widths of less than 15 nm) the spectral bandwidth of the spectrometer used should be better than 1/8th of the natural half band width of the compound’s absorption.  
4.3 These practices allow the user of a spectrophotometer to estimate the actual spectral bandwidth of the instrument under a given set of conditions and to compare the result to the spectral bandwidth calculated from data given in the manufacturer's literature or indicated by the instrument.
SCOPE
1.1 This practice describes procedures for estimating the spectral bandwidth of a spectrophotometer in the wavelength region of 185 nm to 820 nm.  
1.2 These practices are applicable to all modern spectrophotometer designs utilizing computer control and data handling. This includes conventional optical designs, where the sample is irradiated by monochromatic light, and ‘reverse’ optic designs coupled to photodiode arrays, where the light is separated by a polychromator after passing through the sample. For spectrophotometers that utilize servo-operated slits and maintain a constant period and a constant signal-to-noise ratio as the wavelength is automatically scanned, and/or utilize fixed slits and maintain a constant servo loop gain by automatically varying gain or dynode voltage, refer to the procedure described in Annex A1. This procedure is identical to that described in earlier versions of this practice.  
1.3 This practice does not cover the measurement of limiting spectral bandwidth, defined as the minimum spectral bandwidth achievable under optimum experimental conditions.  
1.4 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice establishes the standard techniques that are of general use in securing and analyzing samples in microgram quantities (microanalysis) by infrared spectrophotometry. These techniques include general microspectroscopy, analysis of gas chromatographic fractions, analysis of liquid chromatographic fractions, analysis of thin-layer chromatographic fractions, analysis of paper chromatographic fractions, analysis of gases evolved from a thermogravimetric analyzer, and infrared spectroscopy using a microscope.
SCOPE
1.1 This practice covers techniques that are of general use in securing and analyzing microgram quantities of samples by infrared spectrophotometric techniques. This practice makes repetition of description of specific techniques unnecessary in individual infrared methods.  
1.2 These recommendations are supplementary to Practices E168, E573, and E1252, which should be referred to for theory, general techniques of sample preparation, and calculations.  
1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice deals primarily with identifying the terms and relationships of those techniques that use ion exchange chromatography to separate mixtures and a conductivity detector to detect the separated components. However, most of the terms should also apply to ion chromatographic techniques that employ other separation and detection mechanisms. The apparatus to be used in the chromatography shall consist of syringe pumps, reciprocating pumps, pneumatic pumps, septum injectors, valve injectors, precolumns, concentrator columns, guard columns, separating columns, suppressor columns, conductivity suppressors, membrane suppressors, micromembrane suppressor, bulk property detectors, and solute property detectors. Chemical reagents to be used in the chemical analysis shall be of four kinds: mobile phase, stationary phase, solid support, and column packing materials. The stationary phase has two types which are the liquid phase and interactive solid phase material. Totally porous packing and pellicular packing are the two types of column packing materials.
SCOPE
1.1 This practice deals primarily with identifying the terms and relationships of those techniques that use ion exchange chromatography to separate mixtures and a conductivity detector to detect the separated components. However, most of the terms should also apply to ion chromatographic techniques that employ other separation and detection mechanisms.  
1.2 Because ion chromatography is a liquid chromatographic technique, this practice uses, whenever possible the terms and relationships identified in Practice E682.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety problems, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 This practice provides general guidelines for the practice of liquid chromatography or size exclusion chromatography coupled with infrared spectrometric detection and analysis (LC/IR, SEC/IR). This practice assumes that the chromatography involved is adequate to resolve a sample into discrete fractions. It is not the intention of this practice to instruct the user on how to perform liquid or size exclusion chromatography (LC or SEC).
SCOPE
1.1 This practice covers techniques that are of general use in qualitatively analyzing multicomponent samples by using a combination of liquid chromatography (LC) or size exclusion chromatography (SEC) with infrared (IR) spectrometric techniques. The sample mixture is separated into fractions by the chromatographic separation. These fractions are subsequently analyzed by an IR spectroscopic method.  
1.2 Three different types of LC/IR techniques have been used to analyze samples (1, 2).2 These consist of eluent trapping (see Practice E334), flowcell and direct deposition. These are presented in the order that they were first used.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This guide defines purity standards for carbon dioxide to ensure the suitability of liquefied carbon dioxide gas for use in supercritical fluid extraction (SFE) and supercritical fluid chromatography (SFC) applications. This guide defines quantitation, labeling, and statistical standards for impurities in carbon dioxide that are necessary for successful SFE or SFC laboratory work, and it suggests methods of analysis for quantifying these impurities. These contaminants are those components that either cause detector signals that interfere with those of the target analytes or physically impede the SFE or SFC experiment. Also, this guide is provided for use by specialty gas suppliers who manufacture carbon dioxide specifically for SFE or SFC applications. SFE or SFC CO2 products offered with a claim of adherence to this guide will meet certain absolute purity and contaminant detectability requirements matched to the needs of current SFE or SFC techniques.
SCOPE
1.1 This guide defines purity standards for carbon dioxide to ensure the suitability of liquefied carbon dioxide gas for use in SFE and SFC applications (see Guide E1449 for definitions of terms). This guide defines quantitation, labeling, and statistical standards for impurities in carbon dioxide that are necessary for successful SFE or SFC laboratory work, and it suggests methods of analysis for quantifying these impurities.  
1.2 This guide is provided for use by specialty gas suppliers who manufacture carbon dioxide specifically for SFE or SFC applications. SFE or SFC carbon dioxide (CO2) products offered with a claim of adherence to this guide will meet certain absolute purity and contaminant detectability requirements matched to the needs of current SFE or SFC techniques. The use of this guide allows different SFE or SFC CO2 product offerings to be compared on an equal purity basis.  
1.3 This guide considers contaminants to be those components that either cause detector signals that interfere with those of the target analytes or physically impede the SFE or SFC experiment.  
1.4 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of limitations prior to use.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Although it is possible to observe and measure each of the several characteristics of a detector under different and unique conditions, it is the intent of this practice that a complete set of detector specifications should be obtained under the same operating conditions. It should also be noted that to completely specify a detector’s capability, its performance should be measured at several sets of conditions within the useful range of the detector. The terms and tests described in this practice are sufficiently general that they may be used regardless of the ultimate operating parameters.  
4.2 Linearity and response time of the recorder or other readout device used should be such that they do not distort or otherwise interfere with the performance of the detector. This requires adjusting the gain, damping, and calibration in accordance with the manufacturer's directions. If additional electronic filters or amplifiers are used between the detector and the final readout device, their characteristics should also first be established.
SCOPE
1.1 This practice covers the testing of the performance of a variable-wavelength photometric detector (VWPD) used as the detection component of a liquid-chromatographic (LC) system operating at one or more wavelengths in the range 190 to 800 nm. Many of the measurements are made at 254 nm for consistency with Practice E685. Measurements at other wavelengths are optional.  
1.2 This practice is intended to describe the performance of the detector both independently of the chromatographic system (static conditions) and with flowing solvent (dynamic conditions).  
1.3 For general liquid chromatographic procedures, consult Refs (1-9).2  
1.4 For general information concerning the principles, construction, operation, and evaluation of liquid-chromatography detectors, see Refs (10, 11) in addition to the sections devoted to detectors in Refs (1-7).  
1.5 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.6 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.7 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This guide deals primarily with the terms and relationships used in supercritical fluid chromatography, including techniques, apparatuses, and reagents.
SCOPE
1.1 This guide deals primarily with the terms and relationships used in supercritical fluid chromatography.  
1.2 Since many of the basic terms and definitions also apply to gas chromatography and liquid chromatography, this guide is using, whenever possible, symbols identical to Practices E355 and E682.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
5.1 This practice describes a procedure for packed-column gas chromatography. It provides general comments, recommended techniques, and precautions. A recommended form for reporting GC methods is given in Section 14.
SCOPE
1.1 This practice is intended to serve as a general guide to the application of gas chromatography (GC) with packed columns for the separation and analysis of vaporizable or gaseous organic and inorganic mixtures and as a reference for the writing and reporting of GC methods.  
Note 1: This practice excludes any form of gas chromatography associated with open tubular (capillary) columns.  
1.2 This standard does not purport to address all the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. Specific hazard statements are given in Section 8 and 9.1.3.  
1.3 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice describes the principles, construction details, operation and performance, and terms and relationships for the use of an electron-capture detector (ECD) as the detection component of a complete gas chromatographic system.
SCOPE
1.1 This practice covers the use of an electron-capture detector (ECD) as the detection component of a gas chromatographic system.  
1.2 This practice is intended to describe the operation and performance of the ECD as a guide for its use in a complete chromatographic system.  
1.3 For general gas chromatographic procedures, Practice E260 or Practice E1510 should be followed except where specific changes are recommended in this practice for use of an ECD. For a definition of gas chromatography and its various terms, see Practice E355. These standards also describe the performance of the detector in terms which the analyst can use to predict overall system performance when the detector is coupled to the column and other chromatographic components.  
1.4 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.5 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific safety information, see Section 3.  
1.6 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

ABSTRACT
This practice deals with the terms, parameters, symbols, units, and relationships used in liquid column chromatography. Most of the terms covered herein should also apply to other kinds of liquid chromatography, notably planar chromatography such as paper or thin-layer chromatography. These terms include the names of techniques, apparatuses and reagents, the parameters and symbols used for chromatogram data readout, and the retention parameters, symbols and units.
SCOPE
1.1 This practice deals primarily with the terms and relationships used in liquid column chromatography. However, most of the terms should also apply to other kinds of liquid chromatography, notably planar chromatography such as paper or thin-layer chromatography.  
Note 1: Although electrophoresis can also be considered a liquid chromatographic technique, it and its associated terms have not been included in this practice.  
1.2 Since most of the basic terms and definitions also apply to gas chromatography, this practice uses, whenever possible, symbols identical to Practice E355.  
1.3 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.4 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Although it is possible to observe and measure each of the several characteristics of a detector under different and unique conditions, it is the intent of this recommended practice that a complete set of detector specifications should be obtained at the same operating conditions, including geometry, flow rates, and temperatures. It should be noted that to specify a detector’s capability completely, its performance should be measured at several sets of conditions within the useful range of the detector. The terms and tests described in this recommended practice are sufficiently general so that they may be used at whatever conditions may be chosen for other reasons.  
4.2 The FID is generally only used with non-ionizable supercritical fluids as the mobile phase. Therefore, this standard does not include the use of modifiers in the supercritical fluid.  
4.3 Linearity and speed of response of the recording system or other data acquisition device used should be such that it does not distort or otherwise interfere with the performance of the detector. Effective recorder response, Bonsall (5) and McWilliam (6), in particular, should be sufficiently fast so that it can be neglected in sensitivity of measurements. If additional amplifiers are used between the detector and the final readout device, their characteristics should also first be established.
SCOPE
1.1 This practice covers the testing of the performance of a flame ionization detector (FID) used as the detection component of a gas or supercritical fluid (SF) chromatographic system.  
1.2 This recommended practice is directly applicable to an FID that employs a hydrogen-air or hydrogen-oxygen flame burner and a dc biased electrode system.  
1.3 This recommended practice covers the performance of the detector itself, independently of the chromatographic column, the column-to-detector interface (if any), and other system components, in terms that the analyst can use to predict overall system performance when the detector is made part of a complete chromatographic system.  
1.4 For general gas chromatographic procedures, Practice E260 should be followed except where specific changes are recommended herein for the use of an FID. For definitions of gas chromatography and its various terms see recommended Practice E355.  
1.5 For general information concerning the principles, construction, and operation of an FID, see Refs (1, 2, 3, 4).2  
1.6 The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.  
1.7 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use. For specific safety information, see Section 5.  
1.8 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

SIGNIFICANCE AND USE
4.1 Relevance—This guide is intended to educate the intended audience on many aspects of laboratory informatics. Specifically, the guide may:  
4.1.1 Help educate new users of laboratory informatics;  
4.1.2 Help educate general audiences in laboratories and other organizations that use laboratory informatics;  
4.1.3 Help educate instrument manufactures and producers of other commonly interfaced systems;  
4.1.4 Provide standard terminology that can be used by laboratory informatics vendors and end users;  
4.1.5 Establish a minimum set of requirements for primary laboratory informatics functions;  
4.1.6 Provide guidance on the tasks performed and documentation created in the specification, evaluation, cost justification, implementation, project management, training, and documentation of laboratory informatics; and  
4.1.7 Provide high-level guidance for the integration of laboratory informatics and other software tools.  
4.2 How to be Used—This guide is intended to be used by all stakeholders involved in any aspect of laboratory informatics implementation, use, or maintenance.  
4.2.1 It is intended to be used throughout the laboratory informatics life cycle by individuals or groups responsible for laboratory informatics implementation and use, including specification, build/configuration, validation, use, upgrades, and retirement/decommissioning.  
4.2.2 This guide also provides an example of a laboratory informatics functional requirements checklist that can be used to guide the purchase, upgrade, or development of a laboratory informatics system.
SCOPE
1.1 This guide helps describe the laboratory informatics landscape and covers issues commonly encountered at all stages in the life cycle of laboratory informatics from inception to retirement. It explains the evolution of laboratory informatics tools used in today’s laboratories such as laboratory information management systems (LIMS), laboratory execution systems (LES), laboratory information systems (LIS), electronic laboratory notebooks (ELN), scientific data management systems (SDMS), and chromatography data systems (CDS). It also covers the relationship (interactions) between these tools and the external systems in a given organization. The guide discusses supporting laboratory informatics tools and a wide variety of the issues commonly encountered at different stages in the life cycle. The subsections that follow describe the scope of this document in specific areas.  
1.2 High-Level Purpose—The purpose of this guide includes: (1) educating new users on laboratory informatics tools; (2) providing a standard terminology that can be used by different vendors and end users; (3) establishing minimum requirements for laboratory informatics; (4) providing guidance for the specification, evaluation, cost justification, implementation, project management, training, and documentation of the systems; and (5) providing a functional requirements checklist for laboratory informatics systems that can be adopted within the laboratory and integrated with existing systems.  
1.3 Laboratory Informatics Definition—Laboratory informatics is the specialized application of information technology aimed at optimizing laboratory operations. It is a collection of informatics tools utilized within laboratory environments to collect, store, process, analyze, report, and archive data and information from the laboratory and its supporting processes. Laboratory informatics includes the effective use of critical data management systems, the electronic delivery of results to customers, and the use and integration of supporting systems (for example, training and policy management). Examples of primary laboratory informatics tools include laboratory information management systems (LIMS), laboratory execution systems (LES), laboratory information systems (LIS), electronic laboratory notebooks (ELN), scientific data management systems (SDMS), and chromat...

SIGNIFICANCE AND USE
5.1 This practice outlines a universally applicable procedure to validate the performance of a quantitative or qualitative, empirically derived, multivariate calibration relative to an accepted reference method.  
5.2 This practice provides procedures for evaluating the capability of a calibration to provide reliable estimations relative to an accepted reference method.  
5.3 This practice provides purchasers of a measurement system that incorporates an empirically derived multivariate calibration with options for specifying validation requirements to ensure that the system is capable of providing estimations with an appropriate degree of agreement with an accepted reference method.  
5.4 This practice provides the user of a measurement system that incorporates an empirically derived multivariate calibration with procedures capable of providing information that may be useful for ongoing quality assurance of the performance of the measurement system.  
5.5 Validation information obtained in the application of this practice is applicable only to the material type and property range of the materials used to perform the validation and only for the individual measurement system on which the practice is completely applied. It is the user's responsibility to select the property levels and the compositional characteristics of the validation samples such that they are suitable to the application. This practice allows the user to write a comprehensive validation statement for the analyzer system including specific limits for the validated range of application and specific restrictions to the permitted uses of the measurement system. Users are cautioned against extrapolation of validation results beyond the material type(s) and property range(s) used to obtain these results.  
5.6 Users are cautioned that a validated empirically derived multivariate calibration is applicable only to samples that fall within the subset population represented in the validation set. The esti...
SCOPE
1.1 This practice covers requirements for the validation of empirically derived calibrations (Note 1) such as calibrations derived by Multiple Linear Regression (MLR), Principal Component Regression (PCR), Partial Least Squares (PLS), Artificial Neural Networks (ANN), or any other empirical calibration technique whereby a relationship is postulated between a set of variables measured for a given sample under test and one or more physical, chemical, quality, or membership properties applicable to that sample.
Note 1: Empirically derived calibrations are sometimes referred to as “models” or “calibrations.” In the following text, for conciseness, the term “calibration” may be used instead of the full name of the procedure.  
1.2 This practice does not cover procedures for establishing said postulated relationship.  
1.3 This practice serves as an overview of techniques used to verify the applicability of an empirically derived multivariate calibration to the measurement of a sample under test and to verify equivalence between the properties calculated from the empirically derived multivariate calibration and the results of an accepted reference method of measurement to within control limits established for the prespecified statistical confidence level.  
1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety, health, and environmental practices and determine the applicability of regulatory limitations prior to use.  
1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.