java.lang.Object
- de.gsi.math.fitter.NonLinearRegressionFitter

```
public class NonLinearRegressionFitter
extends java.lang.Object
```
Non-linear regression class Nelder & Mead simplex algorithm being the primary back-bone of this implementation initial implementation based on the package provided by: Michael Thomas Flanagan at www.ee.ucl.ac.uk/~mflanaga The code has been cleaned up and adapted to further support multi-dimensional fits

Author:

rstein

Field Summary

Fields
Modifier and Type	Field	Description
`protected double`	`adjustedF`
`protected double`	`adjustedR`
`protected double`	`adjustedR2`
`protected double[]`	`best`
`protected double[]`	`bestSd`
`protected double`	`cCoeff`
`protected double`	`chiSquare`
`protected int`	`constraintMethod`
`protected double[]`	`constraints`
`protected double`	`constraintTolerance`
`protected double[][]`	`corrCoeff`
`protected double[][]`	`covar`
`protected int`	`degreesOfFreedom`
`protected double`	`delta`
`protected double`	`dStep`
`protected double`	`eCoeff`
`protected boolean[]`	`fixed`
`protected double`	`fMin`
`protected double[]`	`fscale`
`protected double`	`fTol`
`protected double[][]`	`grad`
`protected static double`	`histTol`
`protected boolean`	`ignoreDofFcheck`
`protected boolean`	`invertFlag`
`protected int`	`konvge`
`protected int`	`kRestart`
`protected double`	`lastSSnoConstraint`
`protected boolean`	`linNonLin`
`protected int`	`maxConstraintIndex`
`protected int`	`minTest`
`protected double`	`multipleF`
`protected boolean`	`multipleY`
`protected int`	`nConstraints`
`protected int`	`nData`
`protected int`	`nData0`
`protected boolean`	`nFactorOption`
`protected int`	`nIter`
`protected boolean`	`nlrStatus`
`protected int`	`nMax`
`protected int`	`nSumConstraints`
`protected int`	`nTerms`
`protected int`	`nXarrays`
`protected int`	`nYarrays`
`protected java.util.ArrayList<java.lang.Object>`	`penalties`
`protected boolean`	`penalty`
`protected int[]`	`penaltyCheck`
`protected int[]`	`penaltyParam`
`protected double`	`penaltyWeight`
`protected boolean`	`posVarFlag`
`protected double[]`	`pseudoSd`
`protected double[]`	`pValues`
`protected double`	`rCoeff`
`protected double`	`reducedChiSquare`
`protected double[]`	`residual`
`protected double[]`	`residualW`
`protected double`	`sampleR`
`protected double`	`sampleR2`
`protected int`	`scaleOpt`
`protected double`	`simplexSd`
`protected double[]`	`startH`
`protected boolean`	`statFlag`
`protected double[]`	`step`
`protected double[]`	`sumConstraints`
`protected double`	`sumOfSquares`
`protected java.util.ArrayList<java.lang.Object>`	`sumPenalties`
`protected boolean`	`sumPenalty`
`protected int[]`	`sumPenaltyCheck`
`protected int[]`	`sumPenaltyNumber`
`protected int[][]`	`sumPenaltyParam`
`protected double[][]`	`sumPlusOrMinus`
`protected boolean`	`trueFreq`
`protected double[]`	`tValues`
`protected double[]`	`values`
`protected double[]`	`weight`
`protected int`	`weightFlag`
`protected boolean`	`weightOpt`
`protected double[][]`	`xData`
`protected double[]`	`yCalc`
`protected double[]`	`yData`
`protected boolean`	`zeroCheck`

Constructor Summary

Constructors
Constructor	Description
`NonLinearRegressionFitter(double[][] xData, double[] yData)`	Constructor with data with x as 2D array and no weights provided
`NonLinearRegressionFitter(double[][] xxData, double[][] yyData)`	Constructor with data with x and y as 2D arrays and no weights provided
`NonLinearRegressionFitter(double[][] xxData, double[][] yyData, double[][] wWeight)`	Constructor with data with x and y as 2D arrays and weights provided
`NonLinearRegressionFitter(double[][] xData, double[] yData, double[] weight)`	Constructor with data with x as 2D array and weights provided
`NonLinearRegressionFitter(double[] xxData, double[] yData)`	Constructor with data with x as 1D array and no weights provided
`NonLinearRegressionFitter(double[] xxData, double[][] yyData)`	Constructor with data with x as 1D array and y as a 2D array and no weights provided
`NonLinearRegressionFitter(double[] xxData, double[][] yyData, double[][] wWeight)`	Constructor with data with x as 1D array and y as 2D array and weights provided
`NonLinearRegressionFitter(double[] xxData, double[] yData, double[] weight)`	Constructor with data with x as 1D array and weights provided

Method Summary

All Methods Static Methods Instance Methods Concrete Methods Deprecated Methods
Modifier and Type	Method	Description
`void`	`addConstraint(int[] paramIndices, double[] plusOrMinus, int conDir, double constraint)`	add a multiple parameter constraint boundary for the non-linear regression
`void`	`addConstraint(int[] paramIndices, int[] plusOrMinus, int conDir, double constraint)`	add a multiple parameter constraint boundary for the non-linear regression
`void`	`addConstraint(int paramIndex, int conDir, double constraint)`	add a single parameter constraint boundary for the non-linear regression
`protected double[]`	`checkForZeroWeights(double[] weight)`	Check entered weights for zeros.
`double`	`checkYallSmall(double yPeak, java.lang.String ss)`	check y values for all y are very small value
`void`	`checkZeroNeg(double[] xx, double[] yy, double[] ww)`	check for zero and negative values
`protected static java.util.ArrayList<java.lang.Object>`	`dataSign(double[] data)`	Deprecated. replace with optimised routines
`void`	`enterData(double[][] xData, double[] yData)`	Enter data with x as 2D array and no weights provided
`void`	`enterData(double[][] xxData, double[][] yyData)`	Enter data with x and y as 2D arrays and no weights provided
`void`	`enterData(double[][] xxData, double[][] yyData, double[][] wWeight)`	data entry, all 2D arrays
`void`	`enterData(double[][] xData, double[] yData, double[] weight)`	Enter data methods
`void`	`enterData(double[] xxData, double[] yData)`	Enter data with x as 1D array and no weights provided
`void`	`enterData(double[] xxData, double[][] yyData)`	Enter data with x as 1D array and y as a 2D array and no weights provided
`void`	`enterData(double[] xxData, double[][] yyData, double[][] wWeight)`	Enter data
`void`	`enterData(double[] xxData, double[] yData, double[] weight)`	Enter data as 1D arrays
`protected void`	`generalLinearStats(double[][] xd)`	Generalised linear regression statistics (protected method called by linear(), linearGeneral() and polynomial())
`double`	`getAdjustedR()`	Get the Adjusted Sample Correlation Coefficient
`double`	`getAdjustedR2()`	Get the Adjusted Sample Correlation Coefficient Squared
`double[]`	`getBestEstimates()`	Get the best estimates of the unknown parameters
`double[]`	`getBestEstimatesErrors()`	Get the estimates of the errors of the best estimates of the unknown parameters
`double[]`	`getBestEstimatesStandardDeviations()`	Get the estimates of the standard deviations of the best estimates of the unknown parameters
`double`	`getChiSquare()`	Get the chi square estimate
`double`	`getchiSquareProb()`	Get the chi square probablity
`double[]`	`getCoeff()`	Get the best estimates of the unknown parameters
`double[]`	`getCoeffSd()`	Get the estimates of the errors of the best estimates of the unknown parameters
`double[]`	`getCoeffVar()`	Get the cofficients of variations of the best estimates of the unknown parameters
`double[][]`	`getCorrCoeffMatrix()`	Get the correlation coefficient matrix
`double[][]`	`getCovMatrix()`	Get the covariance matrix
`double`	`getDegFree()`	Get the degrees of freedom
`double`	`getDelta()`	Get the non-linear regression fractional step size used in numerical differencing
`double[][]`	`getGrad()`	Get the non-linear regression pre and post minimum gradients
`boolean`	`getInversionCheck()`	Get the non-linear regression statistics Hessian matrix inversion status flag
`int`	`getMinTest()`	Get the non-linear regression convergence test option
`double`	`getMultipleF()`	Get the Multiple Correlation Coefficient F ratio
`int`	`getNiter()`	Get the number of iterations in nonlinear regression
`boolean`	`getNlrStatus()`	Get the non-linear regression status true if convergence was achieved false if convergence not achieved before maximum number of iterations current values then returned
`int`	`getNmax()`	Get the maximum number of iterations allowed in nonlinear regression
`double`	`getNMcontract()`	Get the Nelder and Mead contraction coefficient [gamma]
`double`	`getNMextend()`	Get the Nelder and Mead extension coefficient [beta]
`double`	`getNMreflect()`	Get the Nelder and Mead reflection coefficient [alpha]
`int`	`getNrestarts()`	Get the number of restarts in nonlinear regression
`int`	`getNrestartsMax()`	Get the maximum number of restarts allowed in nonlinear regression
`boolean`	`getPosVarCheck()`	Get the non-linear regression statistics Hessian matrix inverse diagonal status flag
`double[]`	`getPseudoErrors()`	Get the pseudo-estimates of the errors of the best estimates of the unknown parameters
`double[]`	`getPseudoSd()`	Get the pseudo-estimates of the errors of the best estimates of the unknown parameters
`double[]`	`getPvalues()`	Get the p-values of the best estimates
`double`	`getReducedChiSquare()`	Get the reduced chi square estimate
`double[]`	`getResiduals()`	Get the unweighed residuals, y(experimental) - y(calculated)
`double`	`getSampleR()`	Get the Sample Correlation Coefficient
`double`	`getSampleR2()`	Get the Sample Correlation Coefficient Squared
`double[]`	`getScale()`
`double`	`getSimplexSd()`	Get the simplex sd at the minimum
`double`	`getSumOfSquares()`	Get the unweighed sum of squares of the residuals
`double`	`getTolerance()`	Get the non-linear regression tolerance
`boolean`	`getTrueFreq()`	Get the true frequency test, trueFreq
`double[]`	`getTvalues()`	Get the t-values of the best estimates
`double[]`	`getWeightedResiduals()`	Get the weighted residuals, (y(experimental) - y(calculated))/weight
`double[][]`	`getXdata()`	Get the input x values
`double[]`	`getYcalc()`	Get the calculated y values
`double[]`	`getYdata()`	Get the input y values
`protected static double`	`halfWidth(double[] xData, double[] yData)`	returns estimate of half-height width
`void`	`ignoreDofFcheck()`	Ignore check on whether degrees of freedom are greater than zero
`boolean`	`infinityCheck(double yPeak, int peaki)`	Check for y value = infinity
`protected void`	`multCorrelCoeff(double[] yy, double[] yyCalc, double[] ww)`	Calculate the multiple correlation coefficient
`protected void`	`nelderMead(java.lang.Object regFun, double[] start, double[] step, double fTol, int nMax)`	Nelder and Mead Simplex Simplex Non-linear Regression
`protected int`	`pseudoLinearStats(java.lang.Object regFun)`	apply linear statistics to a non-linear regression
`void`	`removeConstraints()`	remove all constraint boundaries for the non-linear regression
`void`	`setConstraintTolerance(double tolerance)`	Reset the tolerance used in a fixed value constraint
`protected void`	`setDefaultValues(double[][] xData, double[] yData, double[] weight)`	Set data and default values
`void`	`setDelta(double delta)`	Set the non-linear regression fractional step size used in numerical differencing
`void`	`setMinTest(int n)`	Reset the non-linear regression convergence test option
`void`	`setNmax(int nmax)`	Set the maximum number of iterations allowed in nonlinear regression
`void`	`setNMcontract(double con)`	Reset the Nelder and Mead contraction coefficient [gamma]
`void`	`setNMextend(double ext)`	Reset the Nelder and Mead extension coefficient [beta]
`void`	`setNMreflect(double refl)`	Reset the Nelder and Mead reflection coefficient [alpha]
`void`	`setNrestartsMax(int nrs)`
`void`	`setScale(double[] sc)`	Reset scaling factors (scaleOpt 2, see above for scaleOpt 0 and 1)
`void`	`setScale(int n)`	Reset scaling factors (scaleOpt 0 and 1, see below for scaleOpt 2)
`void`	`setTolerance(double tol)`	Set the non-linear regression tolerance
`void`	`setTrueFreq(boolean trFr)`	Reset the true frequency test, trueFreq true if yData values are true frequencies, e.g.
`protected static boolean`	`setTrueFreqWeights(double[] yData, double[] weight)`
`void`	`simplex(Function1D g, double[] start)`	Nelder and Mead simplex Default tolerance Default maximum iterations Default step option - all step[i] = dStep
`void`	`simplex(Function1D g, double[] start, double fTol)`	Nelder and Mead simplex Default maximum iterations Default step option - all step[i] = dStep
`void`	`simplex(Function1D g, double[] start, double[] step)`	Nelder and Mead simplex
`void`	`simplex(Function1D g, double[] start, double[] step, double fTol)`	Nelder and Mead simplex Default maximum iterations
`void`	`simplex(Function1D g, double[] start, double[] step, double fTol, int nMax)`	Nelder and Mead Simplex Simplex Non-linear Regression
`void`	`simplex(Function1D g, double[] start, double[] step, int nMax)`	Nelder and Mead simplex Default tolerance
`void`	`simplex(Function1D g, double[] start, double fTol, int nMax)`	Nelder and Mead simplex Default step option - all step[i] = dStep
`void`	`simplex(Function1D g, double[] start, int nMax)`	Nelder and Mead simplex Default tolerance Default step option - all step[i] = dStep
`void`	`simplex2(FunctionND g, double[] start)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double fTol)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double[] step)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double[] step, double fTol)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double[] step, double fTol, int nMax)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double[] step, int nMax)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, double fTol, int nMax)`	Deprecated. do not use yet in a production environment, needs some clean-up
`void`	`simplex2(FunctionND g, double[] start, int nMax)`	Deprecated. do not use yet in a production environment, needs some clean-up
`protected static void`	`sort(double[] x, double[] y, double[] w)`	sort elements x, y and w arrays of doubles into ascending order of the x array using selection sort method
`protected double`	`sumSquares(java.lang.Object regFun, double[] testParameter)`	Calculate the sum of squares of the residuals for non-linear regression

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Field Detail
  - histTol
```
protected static double histTol
```
  - nData0
```
protected int nData0
```
  - nData
```
protected int nData
```
  - nXarrays
```
protected int nXarrays
```
  - nYarrays
```
protected int nYarrays
```
  - nTerms
```
protected int nTerms
```
  - degreesOfFreedom
```
protected int degreesOfFreedom
```
  - xData
```
protected double[][] xData
```
  - yData
```
protected double[] yData
```
  - yCalc
```
protected double[] yCalc
```
  - weight
```
protected double[] weight
```
  - residual
```
protected double[] residual
```
  - residualW
```
protected double[] residualW
```
  - weightOpt
```
protected boolean weightOpt
```
  - weightFlag
```
protected int weightFlag
```
  - best
```
protected double[] best
```
  - bestSd
```
protected double[] bestSd
```
  - pseudoSd
```
protected double[] pseudoSd
```
  - tValues
```
protected double[] tValues
```
  - pValues
```
protected double[] pValues
```
  - chiSquare
```
protected double chiSquare
```
  - reducedChiSquare
```
protected double reducedChiSquare
```
  - sumOfSquares
```
protected double sumOfSquares
```
  - lastSSnoConstraint
```
protected double lastSSnoConstraint
```
  - covar
```
protected double[][] covar
```
  - corrCoeff
```
protected double[][] corrCoeff
```
  - sampleR
```
protected double sampleR
```
  - sampleR2
```
protected double sampleR2
```
  - adjustedR
```
protected double adjustedR
```
  - adjustedR2
```
protected double adjustedR2
```
  - multipleF
```
protected double multipleF
```
  - adjustedF
```
protected double adjustedF
```
  - linNonLin
```
protected boolean linNonLin
```
  - trueFreq
```
protected boolean trueFreq
```
  - nlrStatus
```
protected boolean nlrStatus
```
  - scaleOpt
```
protected int scaleOpt
```
  - fscale
```
protected double[] fscale
```
  - zeroCheck
```
protected boolean zeroCheck
```
  - penalty
```
protected boolean penalty
```
  - sumPenalty
```
protected boolean sumPenalty
```
  - nConstraints
```
protected int nConstraints
```
  - nSumConstraints
```
protected int nSumConstraints
```
  - maxConstraintIndex
```
protected int maxConstraintIndex
```
  - constraintTolerance
```
protected double constraintTolerance
```
  - penalties
```
protected java.util.ArrayList<java.lang.Object> penalties
```
  - sumPenalties
```
protected java.util.ArrayList<java.lang.Object> sumPenalties
```
  - penaltyCheck
```
protected int[] penaltyCheck
```
  - sumPenaltyCheck
```
protected int[] sumPenaltyCheck
```
  - penaltyWeight
```
protected double penaltyWeight
```
  - penaltyParam
```
protected int[] penaltyParam
```
  - sumPenaltyParam
```
protected int[][] sumPenaltyParam
```
  - sumPlusOrMinus
```
protected double[][] sumPlusOrMinus
```
  - sumPenaltyNumber
```
protected int[] sumPenaltyNumber
```
  - constraints
```
protected double[] constraints
```
  - sumConstraints
```
protected double[] sumConstraints
```
  - constraintMethod
```
protected int constraintMethod
```
  - nMax
```
protected int nMax
```
  - nIter
```
protected int nIter
```
  - konvge
```
protected int konvge
```
  - kRestart
```
protected int kRestart
```
  - fMin
```
protected double fMin
```
  - fTol
```
protected double fTol
```
  - rCoeff
```
protected double rCoeff
```
  - eCoeff
```
protected double eCoeff
```
  - cCoeff
```
protected double cCoeff
```
  - startH
```
protected double[] startH
```
  - step
```
protected double[] step
```
  - dStep
```
protected double dStep
```
  - grad
```
protected double[][] grad
```
  - delta
```
protected double delta
```
  - invertFlag
```
protected boolean invertFlag
```
  - posVarFlag
```
protected boolean posVarFlag
```
  - minTest
```
protected int minTest
```
  - simplexSd
```
protected double simplexSd
```
  - statFlag
```
protected boolean statFlag
```
  - multipleY
```
protected boolean multipleY
```
  - values
```
protected double[] values
```
  - fixed
```
protected boolean[] fixed
```
  - ignoreDofFcheck
```
protected boolean ignoreDofFcheck
```
  - nFactorOption
```
protected boolean nFactorOption
```
- Constructor Detail
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[] xxData,
                                 double[] yData)
```
    Constructor with data with x as 1D array and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yData - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[] xxData,
                                 double[] yData,
                                 double[] weight)
```
    Constructor with data with x as 1D array and weights provided
    
    Parameters:
    
    xxData - ???
    
    yData - ???
    
    weight - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[] xxData,
                                 double[][] yyData)
```
    Constructor with data with x as 1D array and y as a 2D array and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[] xxData,
                                 double[][] yyData,
                                 double[][] wWeight)
```
    Constructor with data with x as 1D array and y as 2D array and weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
    
    wWeight - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[][] xData,
                                 double[] yData)
```
    Constructor with data with x as 2D array and no weights provided
    
    Parameters:
    
    xData - ???
    
    yData - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[][] xData,
                                 double[] yData,
                                 double[] weight)
```
    Constructor with data with x as 2D array and weights provided
    
    Parameters:
    
    xData - ???
    
    yData - ???
    
    weight - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[][] xxData,
                                 double[][] yyData)
```
    Constructor with data with x and y as 2D arrays and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
  - NonLinearRegressionFitter
```
public NonLinearRegressionFitter(double[][] xxData,
                                 double[][] yyData,
                                 double[][] wWeight)
```
    Constructor with data with x and y as 2D arrays and weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
    
    wWeight - ???
- Method Detail
  - addConstraint
```
public void addConstraint(int paramIndex,
                          int conDir,
                          double constraint)
```
    add a single parameter constraint boundary for the non-linear regression
    
    Parameters:
    
    paramIndex - parameter index
    
    conDir - ???
    
    constraint - ???
  - addConstraint
```
public void addConstraint(int[] paramIndices,
                          double[] plusOrMinus,
                          int conDir,
                          double constraint)
```
    add a multiple parameter constraint boundary for the non-linear regression
    
    Parameters:
    
    paramIndices - parameter indices
    
    plusOrMinus - positive/negative range constraint
    
    conDir - direction of fit constraint
    
    constraint - ???
  - addConstraint
```
public void addConstraint(int[] paramIndices,
                          int[] plusOrMinus,
                          int conDir,
                          double constraint)
```
    add a multiple parameter constraint boundary for the non-linear regression
    
    Parameters:
    
    paramIndices - parameter indices
    
    plusOrMinus - positive/negative range constraint
    
    conDir - direction of fit constraint
    
    constraint - ???
  - checkForZeroWeights
```
protected double[] checkForZeroWeights(double[] weight)
```
    Check entered weights for zeros. If more than 40% are zero or less than zero, all weights replaced by unity If less than 40% are zero or less than zero, the zero or negative weights are replaced by the average of their nearest neighbours
    
    Parameters:
    
    weight - weight vector
    
    Returns:
    
    conditioned vector
  - checkYallSmall
```
public double checkYallSmall(double yPeak,
                             java.lang.String ss)
```
    check y values for all y are very small value
    
    Parameters:
    
    yPeak - ???
    
    ss - ???
    
    Returns:
    
    true: if a very small value has been removed
  - checkZeroNeg
```
public void checkZeroNeg(double[] xx,
                         double[] yy,
                         double[] ww)
```
    check for zero and negative values
    
    Parameters:
    
    xx - ???
    
    yy - ???
    
    ww - ???
  - enterData
```
public void enterData(double[] xxData,
                      double[] yData)
```
    Enter data with x as 1D array and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yData - ???
  - enterData
```
public void enterData(double[] xxData,
                      double[] yData,
                      double[] weight)
```
    Enter data as 1D arrays
    
    Parameters:
    
    xxData - ???
    
    yData - ???
    
    weight - ???
  - enterData
```
public void enterData(double[] xxData,
                      double[][] yyData)
```
    Enter data with x as 1D array and y as a 2D array and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
  - enterData
```
public void enterData(double[] xxData,
                      double[][] yyData,
                      double[][] wWeight)
```
    Enter data
    
    Parameters:
    
    xxData - 1D array
    
    yyData - 2D array
    
    wWeight - ???
  - enterData
```
public void enterData(double[][] xData,
                      double[] yData)
```
    Enter data with x as 2D array and no weights provided
    
    Parameters:
    
    xData - ???
    
    yData - ???
  - enterData
```
public void enterData(double[][] xData,
                      double[] yData,
                      double[] weight)
```
    Enter data methods
    
    Parameters:
    
    xData - 2D array
    
    yData - 1D array
    
    weight - 1D array
  - enterData
```
public void enterData(double[][] xxData,
                      double[][] yyData)
```
    Enter data with x and y as 2D arrays and no weights provided
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
  - enterData
```
public void enterData(double[][] xxData,
                      double[][] yyData,
                      double[][] wWeight)
```
    data entry, all 2D arrays
    
    Parameters:
    
    xxData - ???
    
    yyData - ???
    
    wWeight - ???
  - generalLinearStats
```
protected void generalLinearStats(double[][] xd)
```
    Generalised linear regression statistics (protected method called by linear(), linearGeneral() and polynomial())
    
    Parameters:
    
    xd - ???
  - getAdjustedR
```
public double getAdjustedR()
```
    Get the Adjusted Sample Correlation Coefficient
    
    Returns:
    
    Adjusted Sample Correlation Coefficient
  - getAdjustedR2
```
public double getAdjustedR2()
```
    Get the Adjusted Sample Correlation Coefficient Squared
    
    Returns:
    
    Adjusted Sample Correlation Coefficient Squared
  - getBestEstimates
```
public double[] getBestEstimates()
```
    Get the best estimates of the unknown parameters
    
    Returns:
    
    best estimates of the unknown parameters
  - getBestEstimatesErrors
```
public double[] getBestEstimatesErrors()
```
    Get the estimates of the errors of the best estimates of the unknown parameters
    
    Returns:
    
    estimates of the errors of the best estimates
  - getBestEstimatesStandardDeviations
```
public double[] getBestEstimatesStandardDeviations()
```
    Get the estimates of the standard deviations of the best estimates of the unknown parameters
    
    Returns:
    
    estimates of the standard deviations
  - getChiSquare
```
public double getChiSquare()
```
    Get the chi square estimate
    
    Returns:
    
    chi square estimate
  - getchiSquareProb
```
public double getchiSquareProb()
```
    Get the chi square probablity
    
    Returns:
    
    chi square probablity
  - getCoeff
```
public double[] getCoeff()
```
    Get the best estimates of the unknown parameters
    
    Returns:
    
    estimates of the unknown parameters
  - getCoeffSd
```
public double[] getCoeffSd()
```
    Get the estimates of the errors of the best estimates of the unknown parameters
    
    Returns:
    
    estimates of the errors of the best estimates
  - getCoeffVar
```
public double[] getCoeffVar()
```
    Get the cofficients of variations of the best estimates of the unknown parameters
    
    Returns:
    
    cofficients of variations of the best estimates
  - getCorrCoeffMatrix
```
public double[][] getCorrCoeffMatrix()
```
    Get the correlation coefficient matrix
    
    Returns:
    
    correlation coefficient matrix
  - getCovMatrix
```
public double[][] getCovMatrix()
```
    Get the covariance matrix
    
    Returns:
    
    covariance matrix
  - getDegFree
```
public double getDegFree()
```
    Get the degrees of freedom
    
    Returns:
    
    degrees of freedom
  - getDelta
```
public double getDelta()
```
    Get the non-linear regression fractional step size used in numerical differencing
    
    Returns:
    
    non-linear regression fractional step size used in numerical differencing
  - getGrad
```
public double[][] getGrad()
```
    Get the non-linear regression pre and post minimum gradients
    
    Returns:
    
    non-linear regression pre and post minimum gradients
  - getInversionCheck
```
public boolean getInversionCheck()
```
    Get the non-linear regression statistics Hessian matrix inversion status flag
    
    Returns:
    
    non-linear regression statistics Hessian matrix inversion status flag
  - getMinTest
```
public int getMinTest()
```
    Get the non-linear regression convergence test option
    
    Returns:
    
    non-linear regression convergence test option
  - getMultipleF
```
public double getMultipleF()
```
    Get the Multiple Correlation Coefficient F ratio
    
    Returns:
    
    Multiple Correlation Coefficient F ratio
  - getNiter
```
public int getNiter()
```
    Get the number of iterations in nonlinear regression
    
    Returns:
    
    number of iterations in nonlinear regression
  - getNlrStatus
```
public boolean getNlrStatus()
```
    Get the non-linear regression status true if convergence was achieved false if convergence not achieved before maximum number of iterations current values then returned
    
    Returns:
    
    the non-linear regression status
  - getNmax
```
public int getNmax()
```
    Get the maximum number of iterations allowed in nonlinear regression
    
    Returns:
    
    maximum number of iterations allowed in nonlinear regression
  - getNMcontract
```
public double getNMcontract()
```
    Get the Nelder and Mead contraction coefficient [gamma]
    
    Returns:
    
    Nelder and Mead contraction coefficient [gamma]
  - getNMextend
```
public double getNMextend()
```
    Get the Nelder and Mead extension coefficient [beta]
    
    Returns:
    
    Nelder and Mead extension coefficient [beta]
  - getNMreflect
```
public double getNMreflect()
```
    Get the Nelder and Mead reflection coefficient [alpha]
    
    Returns:
    
    Nelder and Mead reflection coefficient [alpha]
  - getNrestarts
```
public int getNrestarts()
```
    Get the number of restarts in nonlinear regression
    
    Returns:
    
    number of restarts in nonlinear regression
  - getNrestartsMax
```
public int getNrestartsMax()
```
    Get the maximum number of restarts allowed in nonlinear regression
    
    Returns:
    
    maximum number of restarts allowed in nonlinear regression
  - getPosVarCheck
```
public boolean getPosVarCheck()
```
    Get the non-linear regression statistics Hessian matrix inverse diagonal status flag
    
    Returns:
    
    non-linear regression statistics Hessian matrix inverse diagonal status flag
  - getPseudoErrors
```
public double[] getPseudoErrors()
```
    Get the pseudo-estimates of the errors of the best estimates of the unknown parameters
    
    Returns:
    
    pseudo-estimates of the errors of the best estimates
  - getPseudoSd
```
public double[] getPseudoSd()
```
    Get the pseudo-estimates of the errors of the best estimates of the unknown parameters
    
    Returns:
    
    pseudo-estimates of the errors of the best estimates
  - getPvalues
```
public double[] getPvalues()
```
    Get the p-values of the best estimates
    
    Returns:
    
    p-values of the best estimates
  - getReducedChiSquare
```
public double getReducedChiSquare()
```
    Get the reduced chi square estimate
    
    Returns:
    
    reduced chi square estimate
  - getResiduals
```
public double[] getResiduals()
```
    Get the unweighed residuals, y(experimental) - y(calculated)
    
    Returns:
    
    unweighed residuals, y(experimental) - y(calculated)
  - getSampleR
```
public double getSampleR()
```
    Get the Sample Correlation Coefficient
    
    Returns:
    
    Sample Correlation Coefficient
  - getSampleR2
```
public double getSampleR2()
```
    Get the Sample Correlation Coefficient Squared
    
    Returns:
    
    Sample Correlation Coefficient Squared
  - getScale
```
public double[] getScale()
```
    Returns:
    
    scaling factors
  - getSimplexSd
```
public double getSimplexSd()
```
    Get the simplex sd at the minimum
    
    Returns:
    
    simplex sd at the minimum
  - getSumOfSquares
```
public double getSumOfSquares()
```
    Get the unweighed sum of squares of the residuals
    
    Returns:
    
    unweighed sum of squares of the residuals
  - getTolerance
```
public double getTolerance()
```
    Get the non-linear regression tolerance
    
    Returns:
    
    non-linear regression tolerance
  - getTrueFreq
```
public boolean getTrueFreq()
```
    Get the true frequency test, trueFreq
    
    Returns:
    
    trueFreq
  - getTvalues
```
public double[] getTvalues()
```
    Get the t-values of the best estimates
    
    Returns:
    
    t-values of the best estimates
  - getWeightedResiduals
```
public double[] getWeightedResiduals()
```
    Get the weighted residuals, (y(experimental) - y(calculated))/weight
    
    Returns:
    
    weighted residuals
  - getXdata
```
public double[][] getXdata()
```
    Get the input x values
    
    Returns:
    
    input x values
  - getYcalc
```
public double[] getYcalc()
```
    Get the calculated y values
    
    Returns:
    
    calculated y values
  - getYdata
```
public double[] getYdata()
```
    Get the input y values
    
    Returns:
    
    input y values
  - ignoreDofFcheck
```
public void ignoreDofFcheck()
```
    Ignore check on whether degrees of freedom are greater than zero
  - infinityCheck
```
public boolean infinityCheck(double yPeak,
                             int peaki)
```
    Check for y value = infinity
    
    Parameters:
    
    yPeak - ???
    
    peaki - ???
    
    Returns:
    
    true if an infinity value has been removed
  - multCorrelCoeff
```
protected void multCorrelCoeff(double[] yy,
                               double[] yyCalc,
                               double[] ww)
```
    Calculate the multiple correlation coefficient
    
    Parameters:
    
    yy - ???
    
    yyCalc - ???
    
    ww - ???
  - nelderMead
```
protected void nelderMead(java.lang.Object regFun,
                          double[] start,
                          double[] step,
                          double fTol,
                          int nMax)
```
    Nelder and Mead Simplex Simplex Non-linear Regression
    
    Parameters:
    
    regFun - function to be fitted to
    
    start - initial parameter values
    
    step - initial parameter step values
    
    fTol - tolerance
    
    nMax - maximum number of iterations
  - pseudoLinearStats
```
protected int pseudoLinearStats(java.lang.Object regFun)
```
    apply linear statistics to a non-linear regression
    
    Parameters:
    
    regFun - test function
    
    Returns:
    
    pseudo linear statistics
  - removeConstraints
```
public void removeConstraints()
```
    remove all constraint boundaries for the non-linear regression
  - setConstraintTolerance
```
public void setConstraintTolerance(double tolerance)
```
    Reset the tolerance used in a fixed value constraint
    
    Parameters:
    
    tolerance - fitting tolerance threshold
  - setDefaultValues
```
protected void setDefaultValues(double[][] xData,
                                double[] yData,
                                double[] weight)
```
    Set data and default values
    
    Parameters:
    
    xData - ???
    
    yData - ???
    
    weight - ???
  - setDelta
```
public void setDelta(double delta)
```
    Set the non-linear regression fractional step size used in numerical differencing
    
    Parameters:
    
    delta - non-linear regression fractional step size used in numerical differencing
  - setMinTest
```
public void setMinTest(int n)
```
    Reset the non-linear regression convergence test option
    
    Parameters:
    
    n - 0 or 1
  - setNmax
```
public void setNmax(int nmax)
```
    Set the maximum number of iterations allowed in nonlinear regression
    
    Parameters:
    
    nmax - maximum number of iterations
  - setNMcontract
```
public void setNMcontract(double con)
```
    Reset the Nelder and Mead contraction coefficient [gamma]
    
    Parameters:
    
    con - Nelder and Mead contraction coefficient [gamma]
  - setNMextend
```
public void setNMextend(double ext)
```
    Reset the Nelder and Mead extension coefficient [beta]
    
    Parameters:
    
    ext - extension coefficient beta
  - setNMreflect
```
public void setNMreflect(double refl)
```
    Reset the Nelder and Mead reflection coefficient [alpha]
    
    Parameters:
    
    refl - alpha parameter
  - setNrestartsMax
```
public void setNrestartsMax(int nrs)
```
    Parameters:
    
    nrs - maximum number of restarts allowed in nonlinear regression
  - setScale
```
public void setScale(double[] sc)
```
    Reset scaling factors (scaleOpt 2, see above for scaleOpt 0 and 1)
    
    Parameters:
    
    sc - scaling factor
  - setScale
```
public void setScale(int n)
```
    Reset scaling factors (scaleOpt 0 and 1, see below for scaleOpt 2)
    
    Parameters:
    
    n - 0 or 1
  - setTolerance
```
public void setTolerance(double tol)
```
    Set the non-linear regression tolerance
    
    Parameters:
    
    tol - non-linear regression tolerance
  - setTrueFreq
```
public void setTrueFreq(boolean trFr)
```
    Reset the true frequency test, trueFreq true if yData values are true frequencies, e.g. in a fit to Gaussian; false if not if true chiSquarePoisson (see above) is also calculated
    
    Parameters:
    
    trFr - ???
  - simplex
```
public void simplex(Function1D g,
                    double[] start)
```
    Nelder and Mead simplex Default tolerance Default maximum iterations Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function
    
    start - initial parameter values
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double fTol)
```
    Nelder and Mead simplex Default maximum iterations Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    fTol - fitting tolerance
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double fTol,
                    int nMax)
```
    Nelder and Mead simplex Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    fTol - fitting tolerance
    
    nMax - maximum number of iterations
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double[] step)
```
    Nelder and Mead simplex
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double[] step,
                    double fTol)
```
    Nelder and Mead simplex Default maximum iterations
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    fTol - fitting tolerance
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double[] step,
                    double fTol,
                    int nMax)
```
    Nelder and Mead Simplex Simplex Non-linear Regression
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    fTol - fitting tolerance
    
    nMax - maximum number of iterations
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    double[] step,
                    int nMax)
```
    Nelder and Mead simplex Default tolerance
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    nMax - maximum number of iterations
  - simplex
```
public void simplex(Function1D g,
                    double[] start,
                    int nMax)
```
    Nelder and Mead simplex Default tolerance Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    nMax - maximum number of iterations
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default tolerance Default maximum iterations Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function to fit
    
    start - initial parameter values
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double fTol)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default maximum iterations Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function to fit
    
    start - initial parameter values
    
    fTol - fitting tolerance
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double fTol,
                     int nMax)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function to fit
    
    start - initial parameter values
    
    fTol - fitting tolerance
    
    nMax - maximum number of iterations
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double[] step)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default tolerance Default maximum iterations
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double[] step,
                     double fTol)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default maximum iterations
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    fTol - fitting tolerance
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double[] step,
                     double fTol,
                     int nMax)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead Simplex Simplex2 Non-linear Regression
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    fTol - fitting tolerance
    
    nMax - maximum number of iterations
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     double[] step,
                     int nMax)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default tolerance
    
    Parameters:
    
    g - function
    
    start - initial parameter values
    
    step - initial parameter step values
    
    nMax - maximum number of iterations
  - simplex2
```
@Deprecated
public void simplex2(FunctionND g,
                     double[] start,
                     int nMax)
```
    Deprecated.
    do not use yet in a production environment, needs some clean-up
    
    Nelder and Mead simplex Default tolerance Default step option - all step[i] = dStep
    
    Parameters:
    
    g - function to fit
    
    start - initial parameter values
    
    nMax - maximum number of iterations
  - sumSquares
```
protected double sumSquares(java.lang.Object regFun,
                            double[] testParameter)
```
    Calculate the sum of squares of the residuals for non-linear regression
    
    Parameters:
    
    regFun - test function
    
    testParameter - test parameter
    
    Returns:
    
    sum of squares
  - dataSign
```
@Deprecated
protected static java.util.ArrayList<java.lang.Object> dataSign(double[] data)
```
    Deprecated.
    replace with optimised routines
    
    check data arrays for sign, max, min and peak
    
    Parameters:
    
    data - input data
    
    Returns:
    
    data arrays for sign, max, min and peak
  - halfWidth
```
protected static double halfWidth(double[] xData,
                                  double[] yData)
```
    returns estimate of half-height width
    
    Parameters:
    
    xData - x coordinate of input data
    
    yData - y coordinate of input data
    
    Returns:
    
    estimate of half-height width
  - setTrueFreqWeights
```
protected static boolean setTrueFreqWeights(double[] yData,
                                            double[] weight)
```
  - sort
```
protected static void sort(double[] x,
                           double[] y,
                           double[] w)
```
    sort elements x, y and w arrays of doubles into ascending order of the x array using selection sort method
    
    Parameters:
    
    x - ???
    
    y - ???
    
    w - ???

Class NonLinearRegressionFitter

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

histTol

nData0

nData

nXarrays

nYarrays

nTerms

degreesOfFreedom

xData

yData

yCalc

weight

residual

residualW

weightOpt

weightFlag

best

bestSd

pseudoSd

tValues

pValues

chiSquare

reducedChiSquare

sumOfSquares

lastSSnoConstraint

covar

corrCoeff

sampleR

sampleR2

adjustedR

adjustedR2

multipleF

adjustedF

linNonLin

trueFreq

nlrStatus

scaleOpt

fscale

zeroCheck

penalty

sumPenalty

nConstraints

nSumConstraints

maxConstraintIndex

constraintTolerance

penalties

sumPenalties

penaltyCheck

sumPenaltyCheck

penaltyWeight

penaltyParam

sumPenaltyParam

sumPlusOrMinus

sumPenaltyNumber

constraints

sumConstraints

constraintMethod

nMax

nIter

konvge

kRestart

fMin

fTol

rCoeff

eCoeff

cCoeff

startH

step

dStep

grad

delta

invertFlag

posVarFlag

minTest

simplexSd