ASTM E1790-04

Standard Practice for Near Infrared Qualitative Analysis

SCOPE
1.1 This practice covers the use of near-infrared (NIR) spectroscopy for the qualitative analysis of liquids and solids. The practice is written under the assumption that most NIR qualitative analyses will be performed with instruments designed specifically for this region and equipped with computerized data handling algorithms. In principle, however, the practice also applies to work with liquid samples using instruments designed for operation over the ultraviolet (UV), visible, and mid-infrared (IR) regions if suitable data handling capabilities are available. Many Fourier Transform Infrared (FTIR) (normally considered mid-IR instruments) have NIR capability, or at least extended-range beamsplitters that allow operation to 1.2 [mu]m; this practice also applies to data from these instruments.  
1.2  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 and health practices and determine the applicability of regulatory limitations prior to use.

General Information

• Status: Historical
• Publication Date: 31-Oct-2004
• ICS: 71.040.50 - Physicochemical methods of analysis
• Technical Committee: E13 - Molecular Spectroscopy and Separation Science
• Drafting Committee: E13.11 - Multivariate Analysis

Relations

• Replaces: ASTM E1790-00 - Standard Practice for Near Infrared Qualitative Analysis
• Effective Date: 01-Nov-2004
• Replaced By: ASTM E1790-04(2010) - Standard Practice for Near Infrared Qualitative Analysis
• Effective Date: 01-Mar-2010
• Referred By: ASTM E2891-20 - Standard Guide for Multivariate Data Analysis in Pharmaceutical Development and Manufacturing Applications
• Effective Date: 01-Nov-2004
• Referred By: ASTM E2898-20a - Standard Guide for Risk-Based Validation of Analytical Methods for PAT Applications
• Effective Date: 01-Nov-2004
• Referred By: ASTM E2617-17 - Standard Practice for Validation of Empirically Derived Multivariate Calibrations
• Effective Date: 01-Nov-2004

Standards Content (Sample)

NOTICE: This standard has either been superseded and replaced by a new version or withdrawn.
Contact ASTM International (www.astm.org) for the latest information.
Designation:E1790–04
Standard Practice for
1
Near Infrared Qualitative Analysis
This standard is issued under the fixed designation E1790; the number immediately following the designation indicates the year of
original adoption or, in the case of revision, the year of last revision. A number in parentheses indicates the year of last reapproval. A
superscript epsilon (´) indicates an editorial change since the last revision or reapproval.
1. Scope 3.2 Definitions of Terms Specific to This Standard:
3.2.1 interactance, n—the phenomenon whereby radiant
1.1 This practice covers the use of near-infrared (NIR)
energy entering the surface of a material is scattered by the
spectroscopy for the qualitative analysis of liquids and solids.
material back to the surface, but at a different portion of the
The practice is written under the assumption that most NIR
surface.
qualitative analyses will be performed with instruments de-
3.2.1.1 Discussion—This differs from diffuse reflectance,
signed specifically for this region and equipped with comput-
where the returning radiation exits the same portion of the
erized data handling algorithms. In principle, however, the
surface of the material as the illuminating radiation entered.
practice also applies to work with liquid samples using
3.2.2 training sample (otherwise called a “reference
instruments designed for operation over the ultraviolet (UV),
sample” or “standard”), n—a quantity of material of known
visible, and mid-infrared (IR) regions if suitable data handling
composition or properties, or both, presented to an instrument
capabilities are available. Many Fourier Transform Infrared
for measurement in order to find relationships between the
(FTIR) (normally considered mid-IR instruments) have NIR
measurements and the composition or properties, or both, of
capability, or at least extended-range beamsplitters that allow
the sample.
operation to 1.2 µm; this practice also applies to data from
3.2.2.1 Discussion—This term is typically used in conjunc-
these instruments.
tion with computerized methods for ascertaining the relation-
1.2 This standard does not purport to address all of the
ships.
safety concerns, if any, associated with its use. It is the
responsibility of the user of this standard to establish appro-
Training samples for quantitative analysis (also called “calibration
priate safety and health practices and determine the applica- samples,” as in Practices E1655) have different requirements than
training samples used for qualitative analysis.
bility of regulatory limitations prior to use.
4. Significance and Use
2. Referenced Documents
2
4.1 NIR spectroscopy is a widely used technique for quan-
2.1 ASTM Standards:
titative analysis, and it is also becoming more widely used for
E131 Terminology Relating to Molecular Spectroscopy
the identification of organic materials, that is, qualitative
E1252 Practice for General Techniques for Obtaining Infra-
analysis. In general, however, the concept of qualitative analy-
red Spectra for Qualitative Analysis
sis as used in the NIR spectral region differs from that used in
E1655 Practices for Infrared Multivariate Quantitative
the mid-IR spectral region in that NIR qualitative analysis
Analysis
refers to the process of automated comparison of the spectra of
3. Terminology
unknown materials to the spectra of known materials in order
to identify the unknown. This approach constitutes a library
3.1 Definitions—For definitions of general terms and sym-
search method in which each user generates his own library.
bols pertaining to NIR spectroscopy and statistical computa-
4.2 Historically, NIR spectroscopy as practiced with classi-
tions, refer to Terminology E131.
cal UV-VIS-NIR instruments using methods similar to those
1 described in Practice E1252 was not considered to be a strong
This practice is under the jurisdiction of ASTM Committee E13 on Molecular
Spectroscopy and Chromatography and is the direct responsibility of Subcommittee technique for qualitative analysis. Although the positions and
E13.11 on Chemometrics.
intensities of absorption bands in specific wavelength ranges
Current edition approved Nov. 1, 2004. Published December 2004. Originally
were used to confirm the presence of certain functional groups,
approved in 1996. Last previous edition approved in 2000 as E1790 – 00. DOI:
the spectra were not considered to be specific enough to allow
10.1520/E1790-04.
2
For referenced ASTM standards, visit the ASTM website, www.astm.org, or
unequivocal identification of unknown materials.Afew impor-
contact ASTM Customer Service at [e-mail]. For Annual Book of ASTM
tant libraries of NIR spectra were developed for qualitative
Standards volume information, refer to the standard’s Document Summary page on
purposes, but the lack of suitable data handling facilities
th
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