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Frank
Delaglio, Ph.D.
Software Science Consultant
13840 Grey Colt Drive
North Potomac MD 20878 USA
Tel: 301 806-0867
Fax: 301 309-8717
E-mail: delaglio@nmrscience.com
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Programs of the NMRPipe System
nlinLS: Non-Linear N-Dimensional Spectral Modeling
| Flag |
Argument |
Default |
Description |
-in |
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inTable Peak Table Input. |
-out |
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outTable Peak Table Output. |
-data |
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dataName Datafile Name. |
-list |
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listName ND File List Name. |
Optional:
-w |
widthList |
2 ... |
+/- Points XYZ... |
-mod |
modelList |
GAUSS1D ... |
Profile names. |
-mult |
multName |
PEAK |
Multiplet type. |
-axis |
axisOrder |
XYZABC |
Axis Order List. |
-tol |
relFnTol |
1.0e-08 |
Func Tolerance. |
-dig |
goodDig |
5 |
Good Digits. |
-con |
confidVal |
0.95 |
Confid Interval. |
-integ |
integLW |
3.0 |
Integral +/- LW. |
-noise |
noiseRMS |
0.0 |
Noise Estimate. |
-iter |
maxIter |
-1 |
Iteration count. |
-iseed |
seed |
54321 |
Random Number Seed. |
-maxf |
maxFnEval |
-1 |
Func Eval count. |
-tf |
truncVal |
0.0 |
Truncation factor. |
-vs |
volScale |
1.0 |
Volume Scale, volumes divided by this factor. |
-vol |
volUnits |
Pts |
Linewidth Units for Volumes, Pts Hz ppm. |
-ppm |
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No |
Update Hz/ppm Values. |
-sum |
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No |
Volume by sum. |
-tau |
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Yes |
Read Tau Values from Header. |
-notau |
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No |
Use Point Index as Tau. |
-norm |
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Off |
Norm Test of Res. |
-verb |
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Off |
Verbose mode on. |
For Constrained Parameters:
-fix |
parm1 ... |
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Fixed parameters. |
-delta |
parm1 X1 ... |
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Limits P-X1:P+X1. |
-delta2 |
parm1 X1 X2 ... |
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Limits P+X1:P+X2. |
-limit |
parm1 X1 X2 ... |
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Limits P=X1:P=X2. |
For TIME1D Profiles:
-apod |
apodName |
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Filter List Name. |
-nots |
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No Time-Domain Scale. |
For MACRO1D Profiles:
-macro |
macName parmCount CLIP |
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-macro |
macName parmCount NOCLIP |
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Optimization Modules:
-f77 |
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Use F77 Modules. |
-yz |
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Use Yamazaki Modules. |
Supported Profile Names:
GAUSS1D LORENTZ1D TIME1D
COS1D SIN1D DCOS1D
DSIN1D EXP1A1D EXP2A1D
EXP2AB1D GAUSS1A1D SCALE1D
CTIME1D GTIME1D NULL1D
Supported Multiplet Types:
PEAK JX JY JXY AX
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Under Construction
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last updated: Jan 22, 2009 / big frank
Contact site designer mimi at
mdelaglio@hotmail.com
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