Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Programs of the NMRPipe System
nlinLS: Non-Linear N-Dimensional Spectral Modeling

Flag Argument Default Description
 -in inTable Peak Table Input.
 -out outTable Peak Table Output.
 -data dataName Datafile Name.
 -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, 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
 -macro macName parmCount 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