ASTM E1947-98(2014)

Standard Specification for Analytical Data Interchange Protocol for Chromatographic Data

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.

General Information

• Status: Historical
• Publication Date: 31-Jul-2014
• ICS: 35.240.99 - IT applications in other fields
• Technical Committee: E13 - Molecular Spectroscopy and Separation Science
• Drafting Committee: E13.15 - Analytical Data

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:E1947 −98 (Reapproved 2014)
Standard Specification for
Analytical Data Interchange Protocol for Chromatographic
1
Data
This standard is issued under the fixed designation E1947; 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 convenient way for sorting analytical data elements to make
them easier to standardize.
1.1 This specification covers a standardized format for
1.5.2 Guide E1948 on chromatographic data, which gives
chromatographic data representation and a software vehicle to
thefulldetailsonhowtoimplementthecontentoftheprotocol
effect the transfer of chromatographic data between instrument
using the public-domain NetCDF data interchange system. It
data systems. This specification provides protocol designed to
includesabriefintroductiontousingNetCDF.Itisintendedfor
benefit users of analytical instruments and increase laboratory
software implementors, not those wanting to understand the
productivity and efficiency.
definitions of data in a chromatographic dataset.
1.2 The protocol in this specification provides a standard-
1.5.3 NetCDF User’s Guide.
ized format for the creation of raw data files or results files.
This standard format has the extension “.cdf” (derived from
2. Referenced Documents
NetCDF). The contents of the file include typical header
3
2.1 ASTM Standards:
information like instrument, column, detector, and operator
E1948 Guide for Analytical Data Interchange Protocol for
description followed by raw or processed data, or both. Once
Chromatographic Data
data have been written or converted to this protocol, they can
2.2 Other Standard:
be read and processed by software packages that support the
4
protocol. NetCDF User’s Guide
5
2.3 ISO Standards:
1.3 The software transfer vehicle used for the protocol in
ISO 2014-1976 (E) Writing of Calendar Dates in All-
this specification is NetCDF, which was developed by the
Numeric Form
UnidataProgramandisfundedbytheDivisionofAtmospheric
2
ISO 3307-1975 (E) Information Interchange—Represen-
Sciences of the National Science Foundation.
tations of Time of the Day
1.4 The protocol in this specification is intended to (1)
ISO 4031-1978 (E) Information Interchange—Represen-
transfer data between various vendors’ instrument systems, (2)
tations of Local Time Differentials
provide LIMS communications, (3) link data to document
processing applications, (4) link data to spreadsheet
3. Terminology
applications, and (5) archive analytical data, or a combination
3.1 Definitions for Administrative Information Class—
thereof. The protocol is a consistent, vendor independent data
format that facilitates the analytical data interchange for these These definitions are for those data elements that are imple-
mented in the protocol. See Table 1.
activities.
3.1.1 administrative-comments—comments about the data-
1.5 The protocol consists of:
set identification of the experiment. This free test field is for
1.5.1 This specification on chromatographic data, which
anything in this information class that is not covered by the
gives the full definitions for each one of the generic chromato-
other data elements in this class.
graphic data elements used in implementation of the protocol.
It defines the analytical information categories, which are a
3
For referenced ASTM standards, visit the ASTM website, www.astm.org, or
1
This specification is under the jurisdiction of ASTM E13 on Molecular contact ASTM Customer Service at [e-mail]. For Annual Book of ASTM
Spectroscopy and Separation Science and is the direct responsibility of E13.15 on Standards volume information, refer to the standard’s Document Summary page on
Analytical Data. the ASTM website.
4
Current edition approved Aug. 1, 2014. Published August 2014. Originally Available from Russell K. Rew, Unidata Program Center, University Corpora-
approved in 1998. Last previous edition approved in 2009 as E1947 – 98 (2009). tion for Atmospheric Research, P. O. Box 3000, Boulder, CO 80307-3000,
DOI: 10.1520/E1947-98R14. http://www2.ucar.edu.
2 5
For more information on the NetCDF standard, contact Unidata at http:// Available from International Organization for Standardization (ISO), 1, ch. de
www.unidata.ucar.edu. la Voie-Creuse, CP 56, CH-1211, Geneva 20, Switzerland, http://www.iso.org.
Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States
1

---------------------- Page: 1 ----------------------
E1947−98 (2014)
TABLE 1 Administrative Information Class
zero, this indicates a zero hour, zero minute, and zero second
difference from Greenwich Mean
...

This document is not an ASTM standard and is intended only to provide the user of an ASTM standard an indication of what changes have been made to the previous version. Because
it may not be technically possible to adequately depict all changes accurately, ASTM recommends that users consult prior editions as appropriate. In all cases only the current version
of the standard as published by ASTM is to be considered the official document.
Designation: E1947 − 98 (Reapproved 2009) E1947 − 98 (Reapproved 2014)
Standard Specification for
Analytical Data Interchange Protocol for Chromatographic
1
Data
This standard is issued under the fixed designation E1947; 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
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
2
Program and is funded by the Division of Atmospheric Sciences of the National Science Foundation.
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.
2. Referenced Documents
3
2.1 ASTM Standards:
E1948 Guide for Analytical Data Interchange Protocol for Chromatographic Data
2.2 Other Standard:
4
NetCDF User’s Guide
5
2.3 ISO Standards:
ISO 2014-1976 (E) Writing of Calendar Dates in All-Numeric Form
ISO 3307-1975 (E) Information Interchange—RepresentationsInterchange—Represen-
tations of Time of the Day
1
This specification is under the jurisdiction of ASTM E13 on Molecular Spectroscopy and Separation Science and is the direct responsibility of E13.15 on Analytical Data.
Current edition approved Oct. 1, 2009Aug. 1, 2014. Published December 2009August 2014. Originally approved in 1998. Last previous edition approved in 20042009
as E1947 – 98 (2004).(2009). DOI: 10.1520/E1947-98R09.10.1520/E1947-98R14.
2
For more information on the NetCDF standard, contact Unidata at
www.unidata.ucar.edu.http://www.unidata.ucar.edu.
3
For referenced ASTM standards, visit the ASTM website, www.astm.org, or contact ASTM Customer Service at [e-mail]. For Annual Book of ASTM Standards
volume information, refer to the standard’s Document Summary page on the ASTM website.
4
Available from Russell K. Rew, Unidata Program Center, University Corporation for Atmospheric Research, P.O. P. O. Box 3000, Boulder, CO 80307-3000,
http://www2.ucar.edu.
5
Available from International Organization for Standardization (ISO), 1, ch. de la Voie-Creuse, Case postale CP 56, CH-1211, Geneva 20, Switzerland,
http://www.iso.ch.http://www.iso.org.
Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States
1

---------------------- Page: 1 ----------------------
E1947 − 98 (2014)
ISO 4031-1978 (E) Information Interchange—RepresentationsInterchange—Represen-
tations of Local Time Differentials
3. Terminology
...