ASTM E1655-2017 Standard Practices for Infrared Multivariate Quantitative Analysis《红外线多变量定量分析的标准实施规程》.pdf
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1、Designation: E1655 05 (Reapproved 2012)E1655 17Standard Practices forInfrared Multivariate Quantitative Analysis1This standard is issued under the fixed designation E1655; the number immediately following the designation indicates the year oforiginal adoption or, in the case of revision, the year of
2、 last revision. A number in parentheses indicates the year of last reapproval. Asuperscript epsilon () indicates an editorial change since the last revision or reapproval.1. Scope1.1 These practices cover a guide for the multivariate calibration of infrared spectrometers used in determining the phys
3、ical orchemical characteristics of materials. These practices are applicable to analyses conducted in the near infrared (NIR) spectralregion (roughly 780 to 2500 nm) through the mid infrared (MIR) spectral region (roughly 4000 to 400 cm1).NOTE 1While the practices described herein deal specifically
4、with mid- and near-infrared analysis, much of the mathematical and procedural detailcontained herein is also applicable for multivariate quantitative analysis done using other forms of spectroscopy. The user is cautioned that typical andbest practices for multivariate quantitative analysis using oth
5、er forms of spectroscopy may differ from practices described herein for mid- andnear-infrared spectroscopies.1.2 Procedures for collecting and treating data for developing IR calibrations are outlined. Definitions, terms, and calibrationtechniques are described. Criteria for validating the performan
6、ce of the calibration model are described.1.3 The implementation of these practices require that the IR spectrometer has been installed in compliance with themanufacturers specifications. In addition, it assumes that, at the times of calibration and of validation, the analyzer is operatingat the con
7、ditions specified by the manufacturer.1.4 These practices cover techniques that are routinely applied in the near and mid infrared spectral regions for quantitativeanalysis. The practices outlined cover the general cases for coarse solids, fine ground solids, and liquids. All techniques coveredrequi
8、re 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 theyconform to the requirements defined herein.1.6 For some multivariate spectroscopic analyses, interferences and matrix effe
9、cts are sufficiently small that it is possible tocalibrate 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 topr
10、ocedures described herein, specifically with respect to the handling of outliers. Surrogate methods may indicate that they makeuse of the mathematics described herein, but they should not claim to follow the procedures described herein.1.7 The values stated in SI units are to be regarded as standard
11、. No other units of measurement are included in this standard.1.8 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibilityof the user of this standard to establish appropriate safety safety, health, and healthenvironmental practi
12、ces and determine theapplicability of regulatory limitations prior to use.1.9 This international standard was developed in accordance with internationally recognized principles on standardizationestablished in the Decision on Principles for the Development of International Standards, Guides and Reco
13、mmendations issuedby the World Trade Organization Technical Barriers to Trade (TBT) Committee.2. Referenced Documents2.1 ASTM Standards:2D1265 Practice for Sampling Liquefied Petroleum (LP) Gases, Manual MethodD4057 Practice for Manual Sampling of Petroleum and Petroleum ProductsD4177 Practice for A
14、utomatic Sampling of Petroleum and Petroleum Products1 These practices are under the jurisdiction ofASTM Committee E13 on Molecular Spectroscopy and Separation Science and are the direct responsibility of SubcommitteeE13.11 on Multivariate Analysis.Current edition approved April 1, 2012Dec. 1, 2017.
15、 Published May 2012January 2018. Originally approved in 1997. Last previous edition approved in 20052012 asE1655 05.E1655 05(2012). DOI: 10.1520/E1655-05R12.10.1520/E1655-17.2 For referencedASTM standards, visit theASTM website, www.astm.org, or contactASTM Customer Service at serviceastm.org. For A
16、nnual Book of ASTM Standardsvolume information, refer to the standards Document Summary page on the ASTM website.This document is not an ASTM standard and is intended only to provide the user of an ASTM standard an indication of what changes have been made to the previous version. Becauseit may not
17、be technically possible to adequately depict all changes accurately, ASTM recommends that users consult prior editions as appropriate. In all cases only the current versionof the standard as published by ASTM is to be considered the official document.Copyright ASTM International, 100 Barr Harbor Dri
18、ve, PO Box C700, West Conshohocken, PA 19428-2959. United States1D4855 Practice for Comparing Test Methods (Withdrawn 2008)3D6122 Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared SpectrophotometerBased Analyzer SystemsD6299 Practice for Applying Sta
19、tistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measure-ment System PerformanceD6300 Practice for Determination of Precision and Bias Data for Use in Test Methods for Petroleum Products and LubricantsE131 Terminology Relating to Molecular SpectroscopyE168 Practices
20、for General Techniques of Infrared Quantitative AnalysisE275 Practice for Describing and Measuring Performance of Ultraviolet and Visible SpectrophotometersE334 Practice for General Techniques of Infrared MicroanalysisE456 Terminology Relating to Quality and StatisticsE691 Practice for Conducting an
21、 Interlaboratory Study to Determine the Precision of a Test MethodE932 Practice for Describing and Measuring Performance of Dispersive Infrared SpectrometersE1421 Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: LevelZero and Level One Tests
22、E1866 Guide for Establishing Spectrophotometer Performance TestsE1944 Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR)Spectrometers: Level Zero and Level One Tests3. Terminology3.1 DefinitionsFor terminology related to molecular spectroscopic m
23、ethods, refer to Terminology E131. For terminologyrelating to quality and statistics, refer to Terminology E456.3.2 Definitions of Terms Specific to This Standard:3.2.1 analysis, nin the context of this practice, the process of applying the calibration model to a spectrum, preprocessed asrequired, s
24、o as to estimate a component concentration value or property.3.2.2 calibration, na process used to create a model relating two types of measured data. In the context of this practice, aprocess for creating a model that relates component concentrations or properties to spectra for a set of known refe
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