Programs of the NMRPipe System
modelXY: Command-line Utility for Non-Linear Least-Squares Optimization

Flag Argument Default Description
 -iseed seed 54321 Random Number Seed.
 -iter maxIt 500 Maximum Iterations.
 -maxf maxEv 500 Maximum Function Evaluations.
 -dig nDig 5 Number of Digits in Target.
 -tol relTol 1e-6 Relative Function Tolerance.
 -cf confid 0.90 Confidence Interval for Error.
 -verb Verbose Mode ON (Default).
 -noverb Verbose Mode Off.
 -silent Suppress Warning/Error Messages.
 -signal Allow interrupt via Control-C.
X/Y and Model Specification (Use -x/-y or -data)
 -x xList List of X Coords for Model.
 -y yList List of Y Coords for Model.
 -data specName Spectral Data for Y Coords of Model.
 -p pList List of Initial Values for Variables.
 -macro macName Macro Which Defines Model Function.
Optional User Flags:
 -a aList None List of Auxiliary Values.
 -pHi hiList Inf Upper Parameter Bound List.
 -pLo loList -Inf Lower Parameter Bound List.
 -noise nList 0.0 List of Noise Estimates for Y Coords.
 -yScale sFactor 1.0 Scale Factor for Y Coords.
 -gc guessCnt 1 Number of Monte Carlo Trials.
 -id fitID 0 An ID Number for this Analysis.
 -res No Macro returns residual, not function.
User-Defined Macro Variables:
 -var vList Variable Name/Numerical Value Pairs.
 -str sList String Name/Text Value Pairs.
M-Language Spectral Variables (requires -data):
 quadSize                    X-Axis Complex Adjust Factor (1=Real, 2=Complex).
 xSize                       X-Axis Size.
 ySize                       Y-Axis Size.
 zSize                       Z-Axis Size.
 aSize                       A-Axis Size.
 dimCount                    Dimension Count.
 fdata[FDATSIZE]             Spectral Data Header.
M-Language Macro Variables:
 id                 (Input)  ID Number for this Analysis.
 lsRes              (Input)  Current Least-Squares Residual.
 confid             (Input)  Confidence Interval, 0.0 to 1.0.
 reportFlag         (Input)  1=Optimization is Finished.
 xList[xyCount]     (Input)  X-Coords for Model.
 dList[xyCount]     (Input)  Y-Coords from Original Data.
 qList[xyCount]     (Input)  Y-Coords from Monte Carlo Data.
 nList[xyCount]     (Input)  Corresponding Noise Values.
 eList[pCount]      (Input)  Monte Carlo Error Estimates.  (Only When reportFlag = 1)
 pList[pCount]      (Input)  Current Model Parameters.  (Optimal When reportFlag = 1)
 aList[aCount]      (Input)  Auxiliary values, if any.
 yList[xyCount]     (Output) Y-Coords for Model, computed by User Macro.

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