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ASTM E 2056 : 2004 : R2016

Current
Current

The latest, up-to-date edition.

Standard Practice for Qualifying Spectrometers and Spectrophotometers for Use in Multivariate Analyses, Calibrated Using Surrogate Mixtures
Available format(s)

Hardcopy , PDF

Language(s)

English

Published date

04-01-2016

CONTAINED IN VOL. 03.06, 2016 Describes the multivariate calibration of spectrometers and spectrophotometers used in determining the physical and chemical characteristics of materials.

1.1This practice relates to the multivariate calibration of spectrometers and spectrophotometers used in determining the physical and chemical characteristics of materials. A detailed description of general multivariate analysis is given in Practices E1655. This standard refers only to those instances where surrogate mixtures can be used to establish a suitable calibration matrix. This practice specifies calibration and qualification data set requirements for interlaboratory studies (ILSs), that is, round robins, of standard test methods employing surrogate calibration techniques that do not conform exactly to Practices E1655.

Note 1:For some multivariate spectroscopic analyses, interferences and matrix effects are sufficiently small that it is possible to calibrate using mixtures that contain substantially fewer chemical components than the samples that will ultimately be analyzed. While these surrogate methods generally make use of the multivariate mathematics described in Practices E1655, they do not conform to procedures described therein, specifically with respect to the handling of outliers.

1.2This practice specifies how the ILS data is treated to establish spectrometer/spectrophotometer performance qualification requirements to be incorporated into standard test methods.

Note 2:Spectrometer/spectrophotometer qualification procedures are intended to allow the user to determine if the performance of a specific spectrometer/spectrophotometer is adequate to conduct the analysis so as to obtain results consistent with the published test method precision.

1.2.1The spectroscopies used in the surrogate test methods would include but not be limited to mid- and near-infrared, ultraviolet/visible, fluorescence and Raman spectroscopies.

1.2.2The surrogate calibrations covered in this practice are: multilinear regression (MLR), principal components regression (PCR) or partial least squares (PLS) mathematics. These calibration procedures are described in detail in Practices E1655.

1.3For surrogate test methods, this practice recommends limitations that should be placed on calibration options that are allowed in the test method. Specifically, this practice recommends that the test method developer demonstrate that all calibrations that are allowed in the test method produce statistically indistinguishable results.

1.4For surrogate test methods that reference spectrometer/spectrophotometer performance practices, such as Practices E275, E925, E932, E958, E1421, E1683, or E1944; Test Methods E387, E388, or E579; or Guide E1866, this practice recommends that instrument performance data be collected as part of the ILS to establish the relationship between spectrometer/spectrophotometer performance and test method precision.

Committee
E 13
DocumentType
Standard Practice
Pages
10
ProductNote
Reconfirmed 2016
PublisherName
American Society for Testing and Materials
Status
Current
Supersedes

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ASTM D 6300 : 2019 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1683 : 2002 : R2022 Standard Practice for Testing the Performance of Scanning Raman Spectrometers
ASTM D 6300 : 2023 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants
ASTM D 6300 : 2020 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants
ASTM E 932 : 1989 : R2021 Standard Practice for Describing and Measuring Performance of Dispersive Infrared Spectrometers
ASTM E 691 : 2019 : EDT 1 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
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ASTM E 1421 : 1999 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers Level Zero and Level One Tests
ASTM E 691 : 2023 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
ASTM E 925 : 2009 : R2014 Standard Practice for Monitoring the Calibration of Ultraviolet-Visible Spectrophotometers whose Spectral Bandwidth does not Exceed 2 nm
ASTM E 1944:1998 Standard Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR) Spectrometers: Level Zero and Level One Tests
ASTM D 6300 : 2023 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants
ASTM D 6300 : 2020 : REV B Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants
ASTM D 6277 : 2007 : R2022 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
ASTM D 6300 : 2006 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1944 : 1998 : R2013 Standard Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR) Spectrometers: Level Zero and Level One Tests
ASTM D 6300 : 2014 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1683 : 2002 : R2007 Standard Practice for Testing the Performance of Scanning Raman Spectrometers
ASTM E 131 : 2010 : R2015 Standard Terminology Relating to Molecular Spectroscopy
ASTM E 691 : 2022 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
ASTM D 6300 : 2015 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 388 : 2004 : R2023 Standard Test Method for Wavelength Accuracy and Spectral Bandwidth of Fluorescence Spectrometers
ASTM D 6300 : 1999 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 691 : 2009 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
ASTM E 1866 : 1997 : R2021 Standard Guide for Establishing Spectrophotometer Performance Tests
ASTM E 1655 : 2017 Standard Practices for Infrared Multivariate Quantitative Analysis
ASTM D 6300 : 2013 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1683 : 2002 Standard Practice for Testing the Performance of Scanning Raman Spectrometers
ASTM E 1866 : 1997 Standard Guide for Establishing Spectrophotometer Performance Tests
ASTM E 691 : 2021 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
ASTM E 1944 : 1998 : R2007 Standard Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR) Spectrometers: Level Zero and Level One Tests
ASTM E 1866 : 1997 : R2013 Standard Guide for Establishing Spectrophotometer Performance Tests
ASTM E 1655 : 2000 Standard Practices for Infrared Multivariate Quantitative Analysis
ASTM D 6277 : 2007 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
ASTM D 6300 : 2008 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM D 6300 : 2003 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM D 6300 : 2007 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1655 : 2005 Standard Practices for Infrared Multivariate Quantitative Analysis
ASTM E 1944 : 1998 : R2021 Standard Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR) Spectrometers: Level Zero and Level One Tests
ASTM D 6300 : 2002 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 1683 : 1995 : REV A Standard Practice for Testing the Performance of Scanning Raman Spectrometers
ASTM D 6277 : 2007 : R2017 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
ASTM D 6300 : 2016 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM E 958 : 2013 Standard Practice for Estimation of the Spectral Bandwidth of Ultraviolet-Visible Spectrophotometers
ASTM E 1655 : 2005 : R2012 Standard Practices for Infrared Multivariate Quantitative Analysis
ASTM D 6300 : 2014 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
ASTM D 6277 : 1999 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
ASTM E 958 : 2013 : REDLINE Standard Practice for Estimation of the Spectral Bandwidth of Ultraviolet-Visible Spectrophotometers
ASTM D 6277 : 2001 : R2006 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
ASTM D 6300 : 2024 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants

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