ASTM D6122-15
Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems

Standard No.

ASTM D6122-15

Release Date

2015

Published By

American Society for Testing and Materials (ASTM)

Status

Be replaced

Replace By

ASTM D6122-18

Latest

ASTM D6122-23

Scope

5.1 The primary purpose of this practice is to permit the user to validate numerical values produced by a multivariate, infrared or near-infrared laboratory or process (online or at-line) analyzer calibrated to measure a specific chemical concentration, chemical property, or physical property. The validated analyzer results are expected to be statistically indistinguishable, over diverse samples whose spectra are neither outliers or nearest neighbor inliers, to those produced by the primary test method to within control limits established by control charts for the prespecified statistical confidence level.

5.2 Procedures are described for verifying that the instrument, the model, and the analyzer system are stable and properly operating.

5.3 A multivariate analyzer system inherently utilizes a multivariate calibration model. In practice the model both implicitly and explicitly spans some subset of the population of all possible samples that could be in the complete multivariate sample space. The model is applicable only to samples that fall within the subset population used in the model construction. A sample measurement cannot be validated unless applicability is established. Applicability cannot be assumed.

5.3.1 Outlier detection methods are used to demonstrate applicability of the calibration model for the analysis of the process sample spectrum. The outlier detection limits are based on historical as well as theoretical criteria. The outlier detection methods are used to establish whether the results obtained by an analyzer are potentially valid. The validation procedures are based on mathematical test criteria that indicate whether the process sample spectrum is within the range spanned by the analyzer system calibration model. If the sample spectrum is an outlier, the analyzer result is invalid. If the sample spectrum is not an outlier, then the analyzer result is valid providing that all other requirements for validity are met. Additional, optional tests may be performed to determine if the process sample spectrum falls in a sparsely populated region of the multivariate space covered by the calibration set, too far from neighboring calibration spectra to ensure good interpolation. For example, such nearest neighbor tests are recommended if the calibration sample spectra are highly clustered.

5.3.2 This practice does not define mathematical criteria to determine from a spectroscopic measurement of a sample whether the sample, the model, or the instrument is the cause of an outlier measurement. Thus the operator who is measuring samples on a routine basis will find criteria in the outlier detection method to determine whether a sample measurement lies within the expected calibration space, but will not have specific information as to the cause of the outlier without additional testing.

1.1 This practice covers requirements for the validation of measurements made by laboratory or process (online or at-line) near- or mid-infrared analyzers, or both, used in the calculation of physical, chemical, or quality parameters (that is, properties) of liquid petroleum products and fuels. The properties are calculated from spectroscopic data using multivariate modeling methods. The requirements include verification of adequate instrument performance, v......

ASTM D6122-15 Referenced Document

• ASTM D1265 Standard Practice for Sampling Liquefied Petroleum (LP) Gases (Manual Method)
• ASTM D3764 Standard Practice for Validation of Process Stream Analyzer Systems
• ASTM D4057 Standard Practice for Manual Sampling of Petroleum and Petroleum Products
• ASTM D4177 Standard Practice for Automatic Sampling of Petroleum and Petroleum Products
• ASTM D6299 Standard Practice for Applying Statistical Quality Assurance and Control Charting Techniques to Evaluate Analytical Measurement System Performance
• ASTM D6708 Standard Practice for Statistical Assessment and Improvement of Expected Agreement Between Two Test Methods that Purport to Measure the Same Property of a Material
• ASTM D7278 Standard Guide for Prediction of Analyzer Sample System Lag Times
• ASTM D7453 Standard Practice for Sampling of Petroleum Products for Analysis by Process Stream Analyzers and for Process Stream Analyzer System Validation
• ASTM D7717 Standard Practice for Preparing Volumetric Blends of Denatured Fuel Ethanol and Gasoline Blendstocks for Laboratory Analysis
• ASTM D7808 Standard Practice for Determining the Site Precision of a Process Stream Analyzer on Process Stream Material
• ASTM E131 Standard Definitions of Terms and Symbols Relating to Molecular Spectroscopy
• ASTM E1421 Standard Practice for Describing and Measuring Performance of Fourier Transform Mid-Infrared (FT-MIR) Spectrometers: Level Zero and Level One Tests
• ASTM E1655 Standard Practices for Infrared Multivariate Quantitative Analysis*， 2024-04-20 Update
• ASTM E1866 Standard Guide for Establishing Spectrophotometer Performance Tests
• ASTM E1944 Standard Practice for Describing and Measuring Performance of Laboratory Fourier Transform Near-Infrared (FT-NIR) Spectrometers: Level Zero and Level One Tests
• ASTM E275 Standard Practice for Describing and Measuring Performance of Ultraviolet, Visible, and Near-Infrared Spectrophotometers
• ASTM E456 Standard Terminology for Relating to Quality and Statistics
• ASTM E932 Standard Practice for Describing and Measuring Performance of Dispersive Infrared Spectrometers

ASTM D6122-15 history

• 2023 ASTM D6122-23 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
• 2022 ASTM D6122-22 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
• 2021 ASTM D6122-21 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
• 2020 ASTM D6122-20a Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
• 2020 ASTM D6122-20 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, Field and Laboratory Infrared Spectrophotometer, and Raman Spectrometer Based Analyzer Systems
• 2019 ASTM D6122-19b Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2019 ASTM D6122-19a Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2019 ASTM D6122-19 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2018 ASTM D6122-18 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2015 ASTM D6122-15 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2013 ASTM D6122-13 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2010 ASTM D6122-10 Standard Practice for Validation of the Performance of Multivariate Online, At-Line, and Laboratory Infrared Spectrophotometer Based Analyzer Systems
• 2009 ASTM D6122-09 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
• 2006 ASTM D6122-06e1 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
• 2006 ASTM D6122-06 Standard Practice for Validation of the Performance of Multivariate Process Infrared Spectrophotometers
• 2001 ASTM D6122-01 Standard Practice for Validation of Multivariate Process Infrared Spectrophotometers
• 1999 ASTM D6122-99 Standard Practice for Validation of Multivariate Process Infrared Spectrophotometers