Data Input.: test1.data
Num of data: 22

Function...: Chemical Shift (XY1)
Description: Notes: X+Y <=> XY; obs X; vary Y
Parameters.: 2

Parameter   Hold Constant      Value     StdDev
Shift....:       no           1.0671   0.014241
Dconst...:       no          0.37354   0.029819

RMSE.......: 0.020299  
Iterations.: 28
Max It.....: 500

Point by Point Analysis
      X[i]      X2[i]      Y[i]    Y-Calc   Residual
       0.1      1.184      0.091   0.067423  -0.023577
     0.273      1.182      0.136    0.17866   0.042657
     0.446       1.18      0.227      0.282   0.055004
     0.619      1.178      0.364    0.37637    0.01237
     0.791      1.176      0.455    0.46048  0.0054828
     0.962      1.174      0.545    0.53415   -0.01085
     1.132      1.172      0.591    0.59769  0.0066852
     1.303      1.171      0.636    0.65225   0.016253
     1.472      1.169      0.727    0.69826  -0.028743
     1.641      1.167      0.727    0.73724   0.010236
      1.81      1.165      0.773    0.77025 -0.0027547
     1.978      1.163      0.818    0.79811  -0.019889
     2.145      1.161      0.818    0.82175  0.0037546
     2.478      1.157      0.864    0.85948 -0.0045156
     2.809      1.154      0.909    0.88778  -0.021223
     3.138       1.15      0.909    0.90965 0.00065422
     3.627      1.144      0.955    0.93422  -0.020783
     4.432      1.135      0.955    0.96175  0.0067517
     5.225      1.126      0.955    0.97981   0.024807
     6.005      1.118          1    0.99247 -0.0075317
     6.773      1.109          1     1.0018  0.0018436
     7.529        1.1          1      1.009   0.009046

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