furanku

NMRPipe System Programs

modelXY

General X/Y Model Fit w/Monte Carlo Error Analysis



Command-Line Argument List

Program modelXY, argument checking enabled.

Non-Linear Least-Squares Optimization:
 modelXY
Optional flags:
 -iseed seed   [54321] Random Number Seed.
 -iter  maxIt  [500]   Maximum Number of Iterations.
 -maxf  maxEv  [500]   Maximum target Function Evaluations.
 -dig   nDig   [5]     Number of Good Digits in Target.
 -tol   relTol [1e-6]  Relative Function Tolerance.
 -cf    confid [0.90]  Confidence Interval for Error Calcs.
Optimization Modules:
 -f77                  F77 Optimization Module (Default).
 -cc                   C Optimization Module.
 -yz                   Yamazaki Optimization Module.
X/Y and Model Specification:
 -x      xList          List of X Coords for Model.
 -y      yList          List of Y Coords for 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 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, from Macro.

Error extracting command arguments.