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StatisticSettings_MakeModel_mcrpure_mdatools

Source: R/class_S3_StatisticSettings.R
StatisticSettings_MakeModel_mcrpure_mdatools.Rd

Makes a Multivariate Curve Resolution (MCR) purity model based on the R package mdatools.

Usage

StatisticSettings_MakeModel_mcrpure_mdatools(
  ncomp = NULL,
  purevars = NULL,
  offset = 0.05,
  exclrows = NULL,
  exclcols = NULL,
  info = ""
)

Arguments

ncomp

Integer (length 1) with the number of components to be calculated.

purevars

Integer vector with the indices of the pure variables (optional).

offset

Numeric (length 1) offset for correcting noise in computing maximum angles (should be value within 0 and 1).

exclrows

Integer vector with the row indices to be excluded.

exclcols

Integer vector with the column indices to be excluded.

info

Character (length 1) with additional information.

Value

A ProcessingSettings S3 class object with subclass StatisticSettings_MakeModel_mcrpure_mdatools.

References

Kucheryavskiy S (2020). “mdatools – R package for chemometrics.” Chemometrics and Intelligent Laboratory Systems, 198, 103937. ISSN 0169-7439, doi:10.1016/j.chemolab.2020.103937 , https://www.sciencedirect.com/science/article/pii/S0169743919305672.

Windig W, Gallagher NB, Shaver JM, Wise BM (2005). “A new approach for interactive self-modeling mixture analysis.” Chemometrics and Intelligent Laboratory Systems, 77(1), 85-96. ISSN 0169-7439, doi:10.1016/j.chemolab.2004.06.009 , FESTSCHRIFT HONOURING PROFESSOR D.L. MASSART, https://www.sciencedirect.com/science/article/pii/S0169743904002011.