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  • ASTM E 2056 : 2004 : R2016

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    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:  01-04-2016

    Publisher:  American Society for Testing and Materials

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    Abstract - (Show below) - (Hide below)

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

    Scope - (Show below) - (Hide below)

    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.

    General Product Information - (Show below) - (Hide below)

    Committee E 13
    Document Type Standard Practice
    Product Note Reconfirmed 2016
    Publisher American Society for Testing and Materials
    Status Current
    Supersedes

    Standards Referenced By This Book - (Show below) - (Hide below)

    ASTM D 7806 : 2012 Standard Test Method for Determination of the Fatty Acid Methyl Ester (FAME) Content of a Blend of Biodiesel and Petroleum-Based Diesel Fuel Oil Using Mid-Infrared Spectroscopy
    ASTM D 7058 : 2019 Standard Test Method for Determination of the Red Dye Concentration and Estimation of Saybolt Color of Aviation Turbine Fuels and Kerosine Using a Portable Visible Spectrophotometer
    ASTM D 6756 : 2017 Standard Test Method for Determination of the Red Dye Concentration and Estimation of the ASTM Color of Diesel Fuel and Heating Oil Using a Portable Visible Spectrophotometer
    ASTM D 7371 : 2014 Standard Test Method for Determination of Biodiesel (Fatty Acid Methyl Esters) Content in Diesel Fuel Oil Using Mid Infrared Spectroscopy (FTIR-ATR-PLS Method)
    ASTM E 2898 : 2014 Standard Guide for Risk-Based Validation of Analytical Methods for PAT Applications

    Standards Referencing This Book - (Show below) - (Hide below)

    ASTM D 6300 : 2020 : 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 : 2013 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 1866 : 1997 : R2002 Standard Guide for Establishing Spectrophotometer Performance Tests
    ASTM E 579 : 1984 : R1998 Standard Test Method for Limit of Detection of Fluorescence of Quinine Sulfate
    ASTM D 6300 : 2014 : REV A : EDT 1 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 1421 : 1999 : R2021 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: Level Zero and Level One Tests
    ASTM E 1421 : 1999 : R2004 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: Level Zero and Level One Tests
    ASTM D 6277 : 2001 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
    ASTM E 1944 : 1998 : R2002 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 : 2017 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 1683 : 2002 : R2014 : EDT 1 Standard Practice for Testing the Performance of Scanning Raman Spectrometers
    ASTM D 6300 : 2017 : REV A Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 932 : 1989 : R2013 Standard Practice for Describing and Measuring Performance of Dispersive Infrared Spectrometers
    ASTM D 6300 : 2016 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 1866 : 1997 : R2007 Standard Guide for Establishing Spectrophotometer Performance Tests
    ASTM D 6277 : 2007 : R2012 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
    ASTM D 6300 : 2004 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 958 : 2013 : R2021 Standard Practice for Estimation of the Spectral Bandwidth of Ultraviolet-Visible Spectrophotometers
    ASTM E 1655 : 2004 Standard Practices for Infrared Multivariate Quantitative Analysis
    ASTM E 691 : 2020 Standard Practice for Conducting an Interlaboratory Study to Determine the Precision of a Test Method
    ASTM D 6300 : 2019 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM E 1421 : 1999 : R2009 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: Level Zero and Level One Tests
    ASTM E 1421 : 1999 : R2015 : EDT 1 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: Level Zero and Level One Tests
    ASTM E 275 : 2008 Describing and Measuring Performance of Ultraviolet and Visible Spectrophotometers
    ASTM E 275 : 2008 : R2013 Standard Practice for Describing and Measuring Performance of Ultraviolet and Visible Spectrophotometers
    ASTM E 275 : 2008 : R2022 Standard Practice for Describing and Measuring Performance of Ultraviolet and Visible Spectrophotometers
    ASTM D 6300 : 2021 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products, Liquid Fuels, and Lubricants
    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 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
    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 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 : 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 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 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 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
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