ASTM E 2056 : 2004 : R2016
Superseded
A superseded Standard is one, which is fully replaced by another Standard, which is a new edition of the same Standard.
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Standard Practice for Qualifying Spectrometers and Spectrophotometers for Use in Multivariate Analyses, Calibrated Using Surrogate Mixtures
Hardcopy , PDF
19-12-2024
English
01-04-2016
CONTAINED IN VOL. 03.06, 2016 Describes the multivariate calibration of spectrometers and spectrophotometers used in determining the physical and chemical characteristics of materials.
Committee |
E 13
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DocumentType |
Standard Practice
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Pages |
10
|
ProductNote |
Reconfirmed 2016
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PublisherName |
American Society for Testing and Materials
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Status |
Superseded
|
SupersededBy | |
Supersedes |
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.
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ASTM D 6300 : 2006 | Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants |
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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 |
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ASTM E 1683 : 2002 | Standard Practice for Testing the Performance of Scanning Raman Spectrometers |
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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 |
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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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