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Publication Detail
Back to basics: The "final" calibration
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Journal Article
  • Authors:
    Davies AMC, Fearn T
  • Publication date:
    01/12/2007
  • Pagination:
    15, 18
  • Journal:
    Spectroscopy Europe
  • Volume:
    19
  • Issue:
    6
  • Status:
    Published
  • Print ISSN:
    0966-0941
Abstract
A study has discussed multivariate calibrations for the two most popular methods for NIR spectral data analysis, such as multiplicative Scatter Correction (MSC) and standard normal variate (SNV) transformation. The pharmaceutical calibration task used the data set (T1) of the 460 analyzed tablets and a set (C1) of 155 analyzed tablets used for validation. The researchers has optimized each calibration by excluding some high influence samples and determining the number of PLS factors to use that achieved the desired optimization results using half of the calibration set as a test set. The study has computed the final calibration for the each iteration from the complete T1 calibration set using cross validation and also tested the calibration on set C1. The conversion of the prediction results to dosage using the provided tablet weights and comparison with the given analyses resulted in the final assessments.
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