Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
autoFit.tcl: Automated ND-Dimensional Lineshape Fitting via nlinlS

Flag Argument Default Description
 -specName specName test.ft2 Input Spectrum Name or Template.
 -simName simName sim.ft2 Output Simulation Spectrum.
 -difName difName dif.ft2 Output Difference Spectrum.
 -inTab inTabNamer test.tab Corresponding Input Peak Table.
 -auxTab auxTabName axt.tab Temporary Peak Table Name, If Needed.
 -outTab outTabName nlin.tab Output Peak Table.
 -noise sigma Auto RMS of Spectral Noise.
 -thresh thresh FromFile Detection Threshold (or FromFile or Auto).
 -sim1D Simulate Individual Components (1D Only).
 -time Use Time-Domain Model.
 -series Last Dimension is Pseudo-ND.
 -sleep sTime tSec Optional Sleep Time.
 -dir dirName . Working Directory.
Lineshape Model Constraints (use X Y Z A):
 -minXW minXW 0.0 Min Full X-Width at Half Height, Pts.
 -maxXW maxXW Auto Max Full X-Width at Half Height, Pts.
 -regX regX Auto Peak Region X-Width, +/- Pts.
 -simX simX Auto Simulation Region X-Width, +/- Pts.
 -dX dX Auto Max Allowable X-Position Change, Pts.
 -modX modNameX GAUSS1D Model Function for X-Axis.