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  • ASTM E 1655 : 2000

    Superseded A superseded Standard is one, which is fully replaced by another Standard, which is a new edition of the same Standard.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 Practices for Infrared Multivariate Quantitative Analysis

    Available format(s):  Hardcopy, PDF

    Superseded date:  11-11-2014

    Language(s):  English

    Published date:  10-09-2000

    Publisher:  American Society for Testing and Materials

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    1.1 These 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.

    1.2 Procedures 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.

    1.3 The 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.

    1.4 These 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.

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

    1.6 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 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.

    1.7 This 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 and health practices and determine the applicability of regulatory limitations prior to use.

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    Committee E 13
    Document Type Standard Practice
    Publisher American Society for Testing and Materials
    Status Superseded
    Superseded By

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

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    ASTM E 1866 : 1997 : R2013 Standard Guide for Establishing Spectrophotometer Performance Tests
    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 E 2898 : 2014 Standard Guide for Risk-Based Validation of Analytical Methods for PAT Applications
    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 5845 : 2001 : R2016 Standard Test Method for Determination of MTBE, ETBE, TAME, DIPE, Methanol, Ethanol and tert-Butanol in Gasoline by Infrared Spectroscopy
    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 2891 : 2013 Standard Guide for Multivariate Data Analysis in Pharmaceutical Development and Manufacturing Applications
    ASTM E 2617 : 2017 Standard Practice for Validation of Empirically Derived Multivariate Calibrations
    ASTM E 1790 : 2004 : R2016 : EDT 1 Standard Practice for Near Infrared Qualitative Analysis
    ASTM D 6621 : 2000 : R2017 Standard Practice for Performance Testing of Process Analyzers for Aromatic Hydrocarbon Materials
    ASTM D 7825 : 2018 Standard Practice for Generating a Process Stream Property Value through Application of a Process Stream Analyzer
    ASTM D 6277 : 2007 : R2017 Standard Test Method for Determination of Benzene in Spark-Ignition Engine Fuels Using Mid Infrared Spectroscopy
    ASTM D 7963 : 2019 : EDT 1 Standard Test Method for Determination of Contamination Level of Fatty Acid Methyl Esters in Middle Distillate and Residual Fuels Using Flow Analysis by Fourier Transform Infrared Spectroscopy—Rapid Screening Method
    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 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 7235 : 2016 Standard Guide for Establishing a Linear Correlation Relationship Between Analyzer and Primary Test Method Results Using Relevant ASTM Standard Practices
    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 2412 : 2010 : R2018 Standard Practice for Condition Monitoring of In-Service Lubricants by Trend Analysis Using Fourier Transform Infrared (FT-IR) Spectrometry
    ASTM D 6342 : 2012 : R2017 : EDT 1 Standard Practice for Polyurethane Raw Materials: Determining Hydroxyl Number of Polyols by Near Infrared (NIR) Spectroscopy
    ASTM D 7889 : 2013 Standard Test Method for Field Determination of In-Service Fluid Properties Using IR Spectroscopy
    ASTM E 2056 : 2004 : R2016 Standard Practice for Qualifying Spectrometers and Spectrophotometers for Use in Multivariate Analyses, Calibrated Using Surrogate Mixtures
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