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NMRPipe System Programs
nlinLS
N-Dimension Lineshape Fitting
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Command-Line Argument List
Program nlinLS, argument checking enabled.
Non-Linear N-Dimensional Spectral Modeling:
nlinLS
-in inTable Peak Table Input.
-out outTable Peak Table Output.
-data dataName Datafile Name.
OR
-list 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;
use Pts Hz ppm
-ppm [No] Update Hz/ppm Values.
-sum [No] Volume by sum.
-tau [Yes] Read Tau Values from Header. -notau [No] Use Point Index as Tau.
-norm [Off] Norm Test of Res.
-verb [Off] Verbose mode on.
For Constrained Parameters:
-fix parm1 ... Fixed parameters.
-delta parm1 X1 ... Limits P-X1:P+X1.
-delta2 parm1 X1 X2 ... Limits P+X1:P+X2.
-limit parm1 X1 X2 ... Limits P=X1:P=X2.
For TIME1D Profiles:
-apod apodName Filter List Name.
-nots No Time-Domain Scale.
For MACRO1D Profiles:
-macro macName parmCount [CLIP|NOCLIP] . . .
Optimization Modules:
-f77 Use F77 Modules.
-yz 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
NLinLS Error extracting command arguments.