Program pcaNMR, argument checking enabled.
PCA error extracting command arguments.
PCA of Regions in a 2D NMR File or Series:
pcaNMR < inputStream
Optional Arguments:
-in inName Input Name or 3D Template.
-reg regList [Full] Point Coords of Region for PCA;
Requires -in option.
-nc numComp [4] Number of Components.
(Use Zero for Auto)
-itmax itmax [50] Max Iterations Per Component.
-conv cTol [1e-6] Convergence Tolerance.
-noverb [No] Verbose Mode Off.
Scaling Options:
-center [No] Use Mean-centering.
-scale [No] Use Variance Scaling.
-autoScale [No] Use Both Centering and Scaling.
Residual Test for Rank Estimation and Auto Component Count:
-rank [No] Do Initial Rank Estimation.
-extra numExtra [0] Extra Components.
-noise nDev [0.0] RMS Noise Estimate.
-confid cProb [0.95] Confidence Limit.
-thresh tHi [0.0] Detection Threshold.
Residual Test Method (Choose Only One):
-nores No Residual Test (Default).
-maxres Test by Maximum Residual;
Requires -thresh flag.
-expl Test explained var.
-maxchi Test both Maximum Residual
and Chi-Square;
Requires -noise flag.
-chi Test by Chi-Square;
Requires -noise flag.
Output Files:
-pca pcaTemplate [None] Save Components.
-res resTemplate [None] Save Residuals.
-score scoreName [None] Save Score Vectors.
-load loadName [None] Save Load Vectors.
