Data Input.: test1.data
Num of data: 21

Function...: Chemical Shift (XY2)
Description: Notes: X+Y <=> XY; XY+Y <=> XY2; obs X
Parameters.: 4

Parameter   Hold Constant      Value     StdDev
Shift-LM1:       no           306.28     12.121
DKd1.....:       no           19.923     8.8514
Shift-LM2:       no           401.27      85.22
DKd2.....:       yes           10000          0

RMSE.......: 5.8898    
Iterations.: 61
Max It.....: 500

Point by Point Analysis
      X[i]      X2[i]      Y[i]    Y-Calc   Residual
     123.9      512.8       66.5     70.423     3.9229
     171.2      510.4        102     97.127    -4.8729
     218.5      508.1      122.7      123.5    0.79856
     264.6      505.8        154     148.69    -5.3149
     310.6      503.5        186     172.98    -13.024
     356.2      501.2      207.6     195.77    -11.829
     401.4        499      222.9     216.48    -6.4234
     446.3      496.8      235.5     234.55   -0.95361
     490.7      494.5      247.3     249.48      2.181
     534.7      492.3        265     261.22    -3.7764
     563.8      490.9      265.5     267.46     1.9565
     592.8      489.5      269.3     272.64     3.3398
     621.6        488      274.2     276.95     2.7494
     650.2      486.6        275     280.53     5.5298
     678.6      485.2      275.3     283.54     8.2387
       721      483.1        276     287.24     11.241
    1016.6      481.7        299     300.29     1.2882
    1310.9      480.3      309.8     306.36    -3.4376
    1603.5      478.9      313.5     310.45    -3.0491
    1894.4      477.5      310.5     313.67      3.174
    2183.6      476.2      319.5     316.41    -3.0859

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