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  • ASTM E 1655 : 2017

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    Standard Practices for Infrared Multivariate Quantitative Analysis

    Available format(s):  Hardcopy, PDF

    Language(s):  English

    Published date:  01-12-2017

    Publisher:  American Society for Testing and Materials

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    Abstract - (Show below) - (Hide below)

    These practices cover a guide for the multivariate calibration of infrared spectrometers used in determining the physical or chemical characteristics of materials.

    Scope - (Show below) - (Hide below)

    1.1These practices cover a guide for the multivariate calibration of infrared spectrometers used in determining the physical or chemical characteristics of materials. These practices are applicable to analyses conducted in the near infrared (NIR) spectral region (roughly 780 to 2500 nm) through the mid infrared (MIR) spectral region (roughly 4000 to 400 cm−1).

    Note 1:While the practices described herein deal specifically with mid- and near-infrared analysis, much of the mathematical and procedural detail contained herein is also applicable for multivariate quantitative analysis done using other forms of spectroscopy. The user is cautioned that typical and best practices for multivariate quantitative analysis using other forms of spectroscopy may differ from practices described herein for mid- and near-infrared spectroscopies.

    1.2Procedures for collecting and treating data for developing IR calibrations are outlined. Definitions, terms, and calibration techniques are described. Criteria for validating the performance of the calibration model are described.

    1.3The implementation of these practices require that the IR spectrometer has been installed in compliance with the manufacturer's specifications. In addition, it assumes that, at the times of calibration and of validation, the analyzer is operating at the conditions specified by the manufacturer.

    1.4These practices cover techniques that are routinely applied in the near and mid infrared spectral regions for quantitative analysis. The practices outlined cover the general cases for coarse solids, fine ground solids, and liquids. All techniques covered require the use of a computer for data collection and analysis.

    1.5These practices provide a questionnaire against which multivariate calibrations can be examined to determine if they conform to the requirements defined herein.

    1.6For 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 herein, they do not conform to procedures described herein, specifically with respect to the handling of outliers. Surrogate methods may indicate that they make use of the mathematics described herein, but they should not claim to follow the procedures described herein.

    1.7The values stated in SI units are to be regarded as standard. No other units of measurement are included in this standard.

    1.8This 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, health, and environmental practices and determine the applicability of regulatory limitations prior to use.

    1.9This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee.

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

    Committee E 13
    Document Type Standard Practice
    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 6621 : 2000 : R2017 Standard Practice for Performance Testing of Process Analyzers for Aromatic Hydrocarbon Materials
    ASTM E 2412 : 2010 : R2018 Standard Practice for Condition Monitoring of In-Service Lubricants by Trend Analysis Using Fourier Transform Infrared (FT-IR) Spectrometry
    ASTM D 5845 : 2001 : R2016 Standard Test Method for Determination of MTBE, ETBE, TAME, DIPE, Methanol, Ethanol and tert-Butanol in Gasoline by Infrared Spectroscopy
    ASTM D 7797 : 2018 Standard Test Method for Determination of the Fatty Acid Methyl Esters Content of Aviation Turbine Fuel Using Flow Analysis by Fourier Transform Infrared Spectroscopy—Rapid Screening Method
    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 D 7861 : 2014 : R2019 Standard Test Method for Determination of Fatty Acid Methyl Esters (FAME) in Diesel Fuel by Linear Variable Filter (LVF) Array Based Mid-Infrared Spectroscopy
    ASTM E 168 : 2016 Standard Practices for General Techniques of Infrared Quantitative Analysis
    ASTM D3764:2019 Standard Practice for Validation of the Performance of Process Stream Analyzer Systems
    ASTM E 2891 : 2013 Standard Guide for Multivariate Data Analysis in Pharmaceutical Development and Manufacturing Applications
    ASTM E 2056 : 2004 : R2016 Standard Practice for Qualifying Spectrometers and Spectrophotometers for Use in Multivariate Analyses, Calibrated Using Surrogate Mixtures
    ASTM D 6342 : 2012 : R2017 : EDT 1 Standard Practice for Polyurethane Raw Materials: Determining Hydroxyl Number of Polyols by Near Infrared (NIR) Spectroscopy
    ASTM E 2617 : 2017 Standard Practice for Validation of Empirically Derived Multivariate Calibrations
    ASTM D 7235 : 2016 Standard Guide for Establishing a Linear Correlation Relationship Between Analyzer and Primary Test Method Results Using Relevant ASTM Standard Practices
    ASTM E 1790 : 2004 : R2016 : EDT 1 Standard Practice for Near Infrared Qualitative Analysis
    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 E 1866 : 1997 : R2013 Standard Guide for Establishing Spectrophotometer Performance Tests
    ASTM E 1982 : 1998 : R2013 Standard Practice for Open-Path Fourier Transform Infrared (OP/FT-IR) Monitoring of Gases and Vapors in Air
    ASTM E 1865 : 1997 : R2013 Standard Guide for Open-Path Fourier Transform Infrared (OP/FT-IR) Monitoring of Gases and Vapors in Air
    ASTM E 2898 : 2014 Standard Guide for Risk-Based Validation of Analytical Methods for PAT Applications
    ASTM D 7889 : 2013 Standard Test Method for Field Determination of In-Service Fluid Properties Using IR Spectroscopy

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

    ASTM D 4057 : 2019 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    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 D 4057 : 1995 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6122 : 2021 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
    ASTM E 1866 : 1997 : R2002 Standard Guide for Establishing Spectrophotometer Performance Tests
    ASTM D 6299 : 2010 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    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 D 1265 : 1997 Standard Practice for Sampling Liquefied Petroleum (LP) Gases (Manual Method)
    ASTM D 6299 : 2013 : EDT 1 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    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 D 4177 : 2016 : EDT 1 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    ASTM D 6122 : 2010 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    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 6299 : 2017 : REV A Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6122 : 2020 : REV A Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
    ASTM D 6299 : 2017 : REV B Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    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 D 6299 : 2009 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6122 : 2013 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    ASTM E 456 : 2002 Standard Terminology for Relating to Quality and Statistics
    ASTM D 4177 : 1995 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    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 D 4057 : 2012 : R2018 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM E 456 : 2013 : REV A : R2022 Standard Terminology Relating to Quality and Statistics
    ASTM D 6299 : 2013 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6122 : 2006 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
    ASTM D 6299 : 2021 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM E 932 : 1989 : R2013 Standard Practice for Describing and Measuring Performance of Dispersive Infrared Spectrometers
    ASTM D 6299 : 2010 : EDT 1 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    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 4057 : 1981 : EDT 2 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6300 : 2004 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM D 4855 : 1997 Standard Practice for Comparing Test Methods
    ASTM D 6122 : 2015 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    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 D 6122 : 2019 : REV B Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    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 : 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 E 456 : 2013 : REV A : R2017 : EDT 5 Standard Terminology Relating to Quality and Statistics
    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 D 6122 : 2001 Standard Practice for Validation of Multivariate Process Infrared Spectrophotometers
    ASTM D 6299 : 2000 Standard Practice for Applying Statistical Quality Assurance Techniques to Evaluate Analytical Measurement System Performance
    ASTM E 932 : 1989 : R2021 Standard Practice for Describing and Measuring Performance of Dispersive Infrared Spectrometers
    ASTM D 6299 : 2010 : EDT 2 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6299 : 2016 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6122 : 2019 : REV A Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    ASTM D 6122 : 2018 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    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 D 4057 : 2006 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    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 4177 : 2015 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    ASTM D 6299 : 2019 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    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 4057 : 2012 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6299 : 2000 : REV A Standard Practice for Applying Statistical Quality Assurance Techniques to Evaluate Analytical Measurement System Performance
    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 E 334 : 2001 : R2021 Standard Practice for General Techniques of Infrared Microanalysis
    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 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 D 6299 : 2020 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 4177 : 1995 : R2010 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    ASTM D 6299 : 2008 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM E 1866 : 1997 : R2021 Standard Guide for Establishing Spectrophotometer Performance Tests
    ASTM D 4855 : 1997 : R2002 Standard Practice for Comparing Test Methods (Withdrawn 2008)
    ASTM D 4177 : 1995 : R2000 Standard Practice for Automatic Sampling of Peroleum and Petroleum Products
    ASTM D 1265 : 2004 Standard Practice for Sampling Liquefied Petroleum (LP) Gases (Manual Method)
    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 D 6299 : 2002 : EDT 1 Standard Practice for Applying Statistical Quality Assurance Techniques to Evaluate Analytical Measurement System Performance
    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 D 6122 : 2019 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
    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 1265 : 2011 : R2017 : EDT 1 Standard Practice for Sampling Liquefied Petroleum (LP) Gases, Manual Method
    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 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 1265 : 2005 Standard Practice for Sampling Liquefied Petroleum (LP) Gases (Manual Method)
    ASTM D 6300 : 2002 Standard Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and Lubricants
    ASTM D 4057 : 2022 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6122 : 2006 : EDT 1 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
    ASTM E 334 : 2001 : R2013 Standard Practice for General Techniques of Infrared Microanalysis
    ASTM D 4177 : 2016 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    ASTM D 1265 : 2004 : REV A Standard Practice for Sampling Liquefied Petroleum (LP) Gases (Manual Method)
    ASTM D 1265 : 2011 Standard Practice for Sampling Liquefied Petroleum (LP) Gases, Manual Method
    ASTM D 4177 : 1995 : R2005 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    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 D 6122 : 1999 Standard Practice for Validation of Multivariate Process Infrared Spectrophotometers
    ASTM D 6299 : 2007 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6299 : 2007 : EDT 1 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM E 456 : 2013 : REV A : R2017 : EDT 4 Standard Terminology Relating to Quality and Statistics
    ASTM E 456 : 2013 : REV A : R2017 : EDT 6 Standard Terminology Relating to Quality and Statistics
    ASTM D 4057 : 1995 : R2000 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6299 : 2020 : REV A Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 6299 : 2017 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
    ASTM D 4177 : 2015 : REV A Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
    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 4057 : 2006 : R2011 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
    ASTM D 6122 : 2022 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
    ASTM D 6122 : 2009 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
    ASTM D 6299 : 2002 Standard Practice for Applying Statistical Quality Assurance Techniques to Evaluate Analytical Measurement System Performance
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