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Title: PLS2001V1.06

Abstract

The PLS2001 software performs multivariate calibrations and preductions using simulated or expermental multivariate data (primarily used for analysis of spectral data). It yields both quantitative and qualitative results based upon a calibration spectral data set. Either validation or unknown samples may be analyzed with the software. The software includes graphic display of the original data, the intermediate results and the final results. It includes sections to read the data, display the data, form calibration methods, display the calibration results, predict validation and prediction samples, and display the prediction results. Batch processing has been implemented for some of the modules. Outlier detection is available for improving the reliability of the analyses. The PLS2001 software includes the following choices of multivariate mthods: pricipal component analysis (PCA), classical least squares (CLS), partial least squares (PLS), principal component regression (PCR), CLS/PLS hybrid method, and our new augmented classical least squares (ACLS) methods including spectral residual ACLS (SRACLS), score augmented CLS (SACLS), concentration residual CLS (CRACLS) and prediction augmented CLS (PACLS).

Authors:
;
Publication Date:
Research Org.:
Sandia National Laboratories
Sponsoring Org.:
Not Specified
OSTI Identifier:
1231021
Report Number(s):
PLS2001V1.06; 002117IBMPC00
R&D Project: 10307, 38726, 25720
DOE Contract Number:  
DE-AC04-94AL85000
Resource Type:
Software
Software Revision:
00
Software Package Number:
002117
Software Package Contents:
Media Directory; Software Abstract; Media includes Source Code and User Guide;/1 CD ROM
Software CPU:
IBMPC
Open Source:
No
Source Code Available:
Yes
Related Software:
Grams 32 or Grams AI and Array Basic, PLSplus/IQ
Country of Publication:
United States

Citation Formats

Haaland, David M., and Melgaard, David K. PLS2001V1.06. Computer software. Vers. 00. Not Specified. 15 May. 2007. Web.
Haaland, David M., & Melgaard, David K. (2007, May 15). PLS2001V1.06 (Version 00) [Computer software].
Haaland, David M., and Melgaard, David K. PLS2001V1.06. Computer software. Version 00. May 15, 2007.
@misc{osti_1231021,
title = {PLS2001V1.06, Version 00},
author = {Haaland, David M. and Melgaard, David K.},
abstractNote = {The PLS2001 software performs multivariate calibrations and preductions using simulated or expermental multivariate data (primarily used for analysis of spectral data). It yields both quantitative and qualitative results based upon a calibration spectral data set. Either validation or unknown samples may be analyzed with the software. The software includes graphic display of the original data, the intermediate results and the final results. It includes sections to read the data, display the data, form calibration methods, display the calibration results, predict validation and prediction samples, and display the prediction results. Batch processing has been implemented for some of the modules. Outlier detection is available for improving the reliability of the analyses. The PLS2001 software includes the following choices of multivariate mthods: pricipal component analysis (PCA), classical least squares (CLS), partial least squares (PLS), principal component regression (PCR), CLS/PLS hybrid method, and our new augmented classical least squares (ACLS) methods including spectral residual ACLS (SRACLS), score augmented CLS (SACLS), concentration residual CLS (CRACLS) and prediction augmented CLS (PACLS).},
doi = {},
year = {2007},
month = {5},
note =
}

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