NMRWish Built-In TCL Functions
pcaNMR: Principal Component Analysis matrix decomposition on spectral data in a region of interest (ROI). See also: readROI, reconNMR.
PCA Decomposition and Reconstruction:
| Flag |
Argument |
Default |
Description |
-x |
xROI |
0 |
ROI ID For Data Matrix. |
-t |
tROI |
0 |
ROI ID For Score (X-Axis) Vectors. |
-p |
pROI |
0 |
ROI ID For Loading (Y-Axis) Vectors. |
-q |
qROI |
0 |
ROI ID For Loading (Z-Axis) Vectors. |
PCA Arguments:
-nc |
NC |
4 |
Number of Components to Find. |
-itmax |
iMax |
4 |
Max Iterations Per Component. |
-i |
|
|
iList List of Component IDs for Recon. |
Notes:
1. If NC is not zero, input matrix X is decomposed
into output T, P, and (for 3D X) Q.
On return, X is replaced with the residual.
2. If NC is zero, the reconstruction formed by
input T, P, and (for 3D X) Q is added into
input matrix X.
3. 2D Case:
X Matrix is xSize*ySize.
T Matrix is xSize*NC.
P Matrix is ySize*NC.
4. 3D Case:
X Matrix is xSize*ySize*zSize.
T Matrix is xSize*NC.
P Matrix is ySize*NC.
Q Matrix is zSize*NC.
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