SIMFIT RESULTS
==============

Dataset : C:/Users/nmrsu/OneDrive - The Rosalind Franklin Institute/NMR600/2022/MD/02_10_Omicron_repeat4/6uM_Omicron_spike_1mM_2_3_Sialic_Acid/Sample1_6uM_Omicron_spike_1mM_2_3_Sialic_Acid/107/pdata/992/ct1t2.txt

INTENSITY fit : Exponential decay (T2 or T1rho) : I[t]=I[0]*exp(-t/T)

753 points for Peak 1

Converged after 173 iterations!

Results     Comp. 1       Comp. 2    

I[0]  =    1.757e-01     9.023e-01  
T     =       2.946s      177.112s  

RSS   =    3.251e+00
SD    =    6.571e-02

Point       Tau          Expt          Calc       Difference

    1       1.000s     1.000e+00     1.022e+00    2.236e-02
    2       2.000s     9.839e-01     9.813e-01   -2.592e-03
    3       3.000s     9.672e-01     9.506e-01   -1.662e-02
    4       4.000s     9.501e-01     9.274e-01   -2.273e-02
    5       5.000s     9.325e-01     9.094e-01   -2.311e-02
    6       6.000s     9.145e-01     8.952e-01   -1.933e-02
    7       7.000s     8.963e-01     8.837e-01   -1.257e-02
    8       8.000s     8.778e-01     8.741e-01   -3.686e-03
    9       9.000s     8.593e-01     8.659e-01    6.638e-03
   10      10.000s     8.408e-01     8.587e-01    1.787e-02
   11      11.000s     8.226e-01     8.522e-01    2.959e-02
   12      12.000s     8.048e-01     8.462e-01    4.140e-02
   13      13.000s     7.876e-01     8.406e-01    5.300e-02
   14      14.000s     7.712e-01     8.353e-01    6.409e-02
   15      15.000s     7.557e-01     8.301e-01    7.441e-02
   16      16.000s     7.414e-01     8.252e-01    8.372e-02
   17      17.000s     7.285e-01     8.203e-01    9.181e-02
   18      18.000s     7.170e-01     8.155e-01    9.850e-02
   19      19.000s     7.072e-01     8.108e-01    1.036e-01
   20      20.000s     6.991e-01     8.062e-01    1.070e-01
   21      21.000s     6.929e-01     8.016e-01    1.087e-01
   22      22.000s     6.886e-01     7.970e-01    1.085e-01
   23      23.000s     6.861e-01     7.925e-01    1.064e-01
   24      24.000s     6.855e-01     7.880e-01    1.025e-01
   25      25.000s     6.867e-01     7.836e-01    9.691e-02
   26      26.000s     6.895e-01     7.792e-01    8.966e-02
   27      27.000s     6.938e-01     7.748e-01    8.094e-02
   28      28.000s     6.995e-01     7.704e-01    7.094e-02
   29      29.000s     7.061e-01     7.661e-01    5.992e-02
   30      30.000s     7.136e-01     7.617e-01    4.812e-02
   31      31.000s     7.216e-01     7.574e-01    3.583e-02
   32      32.000s     7.298e-01     7.532e-01    2.337e-02
   33      33.000s     7.379e-01     7.489e-01    1.105e-02
   34      34.000s     7.455e-01     7.447e-01   -8.248e-04
   35      35.000s     7.525e-01     7.405e-01   -1.194e-02
   36      36.000s     7.584e-01     7.364e-01   -2.202e-02
   37      37.000s     7.630e-01     7.322e-01   -3.078e-02
   38      38.000s     7.661e-01     7.281e-01   -3.801e-02
   39      39.000s     7.675e-01     7.240e-01   -4.351e-02
   40      40.000s     7.670e-01     7.199e-01   -4.713e-02
   41      41.000s     7.647e-01     7.159e-01   -4.880e-02
   42      42.000s     7.603e-01     7.118e-01   -4.846e-02
   43      43.000s     7.540e-01     7.078e-01   -4.613e-02
   44      44.000s     7.457e-01     7.038e-01   -4.190e-02
   45      45.000s     7.358e-01     6.999e-01   -3.588e-02
   46      46.000s     7.242e-01     6.959e-01   -2.826e-02
   47      47.000s     7.113e-01     6.920e-01   -1.927e-02
   48      48.000s     6.973e-01     6.881e-01   -9.178e-03
   49      49.000s     6.825e-01     6.842e-01    1.722e-03
   50      50.000s     6.673e-01     6.804e-01    1.310e-02
   51      51.000s     6.520e-01     6.766e-01    2.461e-02
   52      52.000s     6.368e-01     6.728e-01    3.591e-02
   53      53.000s     6.223e-01     6.690e-01    4.665e-02
   54      54.000s     6.087e-01     6.652e-01    5.651e-02
   55      55.000s     5.963e-01     6.615e-01    6.517e-02
   56      56.000s     5.854e-01     6.577e-01    7.237e-02
   57      57.000s     5.762e-01     6.540e-01    7.787e-02
   58      58.000s     5.689e-01     6.503e-01    8.149e-02
   59      59.000s     5.636e-01     6.467e-01    8.309e-02
   60      60.000s     5.605e-01     6.430e-01    8.259e-02
   61      61.000s     5.594e-01     6.394e-01    7.997e-02
   62      62.000s     5.605e-01     6.358e-01    7.528e-02
   63      63.000s     5.636e-01     6.322e-01    6.861e-02
   64      64.000s     5.686e-01     6.287e-01    6.010e-02
   65      65.000s     5.752e-01     6.251e-01    4.995e-02
   66      66.000s     5.832e-01     6.216e-01    3.841e-02
   67      67.000s     5.924e-01     6.181e-01    2.574e-02
   68      68.000s     6.024e-01     6.146e-01    1.225e-02
   69      69.000s     6.129e-01     6.112e-01   -1.740e-03
   70      70.000s     6.237e-01     6.077e-01   -1.591e-02
   71      71.000s     6.343e-01     6.043e-01   -2.993e-02
   72      72.000s     6.444e-01     6.009e-01   -4.349e-02
   73      73.000s     6.538e-01     5.975e-01   -5.630e-02
   74      74.000s     6.623e-01     5.942e-01   -6.808e-02
   75      75.000s     6.694e-01     5.908e-01   -7.862e-02
   76      76.000s     6.752e-01     5.875e-01   -8.771e-02
   77      77.000s     6.794e-01     5.842e-01   -9.523e-02
   78      78.000s     6.820e-01     5.809e-01   -1.011e-01
   79      79.000s     6.828e-01     5.776e-01   -1.052e-01
   80      80.000s     6.820e-01     5.744e-01   -1.076e-01
   81      81.000s     6.795e-01     5.711e-01   -1.084e-01
   82      82.000s     6.755e-01     5.679e-01   -1.076e-01
   83      83.000s     6.701e-01     5.647e-01   -1.054e-01
   84      84.000s     6.635e-01     5.616e-01   -1.019e-01
   85      85.000s     6.558e-01     5.584e-01   -9.743e-02
   86      86.000s     6.474e-01     5.552e-01   -9.211e-02
   87      87.000s     6.383e-01     5.521e-01   -8.621e-02
   88      88.000s     6.290e-01     5.490e-01   -7.995e-02
   89      89.000s     6.195e-01     5.459e-01   -7.357e-02
   90      90.000s     6.101e-01     5.428e-01   -6.729e-02
   91      91.000s     6.011e-01     5.398e-01   -6.131e-02
   92      92.000s     5.926e-01     5.368e-01   -5.581e-02
   93      93.000s     5.847e-01     5.337e-01   -5.094e-02
   94      94.000s     5.775e-01     5.307e-01   -4.680e-02
   95      95.000s     5.712e-01     5.277e-01   -4.348e-02
   96      96.000s     5.658e-01     5.248e-01   -4.101e-02
   97      97.000s     5.612e-01     5.218e-01   -3.941e-02
   98      98.000s     5.575e-01     5.189e-01   -3.864e-02
   99      99.000s     5.546e-01     5.160e-01   -3.863e-02
  100     100.000s     5.524e-01     5.130e-01   -3.930e-02
  101     101.000s     5.507e-01     5.102e-01   -4.054e-02
  102     102.000s     5.495e-01     5.073e-01   -4.221e-02
  103     103.000s     5.486e-01     5.044e-01   -4.418e-02
  104     104.000s     5.479e-01     5.016e-01   -4.630e-02
  105     105.000s     5.472e-01     4.988e-01   -4.842e-02
  106     106.000s     5.464e-01     4.960e-01   -5.041e-02
  107     107.000s     5.453e-01     4.932e-01   -5.216e-02
  108     108.000s     5.439e-01     4.904e-01   -5.356e-02
  109     109.000s     5.421e-01     4.876e-01   -5.452e-02
  110     110.000s     5.399e-01     4.849e-01   -5.501e-02
  111     111.000s     5.371e-01     4.822e-01   -5.499e-02
  112     112.000s     5.339e-01     4.794e-01   -5.448e-02
  113     113.000s     5.302e-01     4.767e-01   -5.350e-02
  114     114.000s     5.262e-01     4.741e-01   -5.212e-02
  115     115.000s     5.218e-01     4.714e-01   -5.042e-02
  116     116.000s     5.172e-01     4.687e-01   -4.850e-02
  117     117.000s     5.126e-01     4.661e-01   -4.649e-02
  118     118.000s     5.080e-01     4.635e-01   -4.451e-02
  119     119.000s     5.036e-01     4.609e-01   -4.270e-02
  120     120.000s     4.994e-01     4.583e-01   -4.118e-02
  121     121.000s     4.958e-01     4.557e-01   -4.008e-02
  122     122.000s     4.926e-01     4.531e-01   -3.950e-02
  123     123.000s     4.901e-01     4.506e-01   -3.953e-02
  124     124.000s     4.883e-01     4.480e-01   -4.022e-02
  125     125.000s     4.871e-01     4.455e-01   -4.162e-02
  126     126.000s     4.867e-01     4.430e-01   -4.373e-02
  127     127.000s     4.870e-01     4.405e-01   -4.650e-02
  128     128.000s     4.879e-01     4.380e-01   -4.988e-02
  129     129.000s     4.893e-01     4.356e-01   -5.378e-02
  130     130.000s     4.912e-01     4.331e-01   -5.805e-02
  131     131.000s     4.932e-01     4.307e-01   -6.255e-02
  132     132.000s     4.953e-01     4.282e-01   -6.710e-02
  133     133.000s     4.973e-01     4.258e-01   -7.151e-02
  134     134.000s     4.990e-01     4.234e-01   -7.557e-02
  135     135.000s     5.001e-01     4.210e-01   -7.907e-02
  136     136.000s     5.005e-01     4.187e-01   -8.181e-02
  137     137.000s     4.999e-01     4.163e-01   -8.359e-02
  138     138.000s     4.982e-01     4.140e-01   -8.424e-02
  139     139.000s     4.952e-01     4.116e-01   -8.360e-02
  140     140.000s     4.909e-01     4.093e-01   -8.154e-02
  141     141.000s     4.850e-01     4.070e-01   -7.798e-02
  142     142.000s     4.776e-01     4.047e-01   -7.286e-02
  143     143.000s     4.686e-01     4.025e-01   -6.619e-02
  144     144.000s     4.582e-01     4.002e-01   -5.798e-02
  145     145.000s     4.463e-01     3.979e-01   -4.832e-02
  146     146.000s     4.330e-01     3.957e-01   -3.734e-02
  147     147.000s     4.186e-01     3.935e-01   -2.518e-02
  148     148.000s     4.033e-01     3.913e-01   -1.205e-02
  149     149.000s     3.872e-01     3.890e-01    1.834e-03
  150     150.000s     3.706e-01     3.869e-01    1.621e-02
  151     151.000s     3.539e-01     3.847e-01    3.081e-02
  152     152.000s     3.372e-01     3.825e-01    4.535e-02
  153     153.000s     3.208e-01     3.804e-01    5.955e-02
  154     154.000s     3.051e-01     3.782e-01    7.313e-02
  155     155.000s     2.903e-01     3.761e-01    8.581e-02
  156     156.000s     2.766e-01     3.740e-01    9.736e-02
  157     157.000s     2.643e-01     3.719e-01    1.075e-01
  158     158.000s     2.536e-01     3.698e-01    1.162e-01
  159     159.000s     2.446e-01     3.677e-01    1.231e-01
  160     160.000s     2.375e-01     3.656e-01    1.281e-01
  161     161.000s     2.323e-01     3.636e-01    1.313e-01
  162     162.000s     2.290e-01     3.615e-01    1.325e-01
  163     163.000s     2.277e-01     3.595e-01    1.318e-01
  164     164.000s     2.282e-01     3.575e-01    1.292e-01
  165     165.000s     2.306e-01     3.554e-01    1.249e-01
  166     166.000s     2.346e-01     3.534e-01    1.189e-01
  167     167.000s     2.401e-01     3.515e-01    1.113e-01
  168     168.000s     2.470e-01     3.495e-01    1.025e-01
  169     169.000s     2.549e-01     3.475e-01    9.256e-02
  170     170.000s     2.638e-01     3.455e-01    8.171e-02
  171     171.000s     2.734e-01     3.436e-01    7.016e-02
  172     172.000s     2.835e-01     3.417e-01    5.815e-02
  173     173.000s     2.939e-01     3.397e-01    4.588e-02
  174     174.000s     3.043e-01     3.378e-01    3.355e-02
  175     175.000s     3.146e-01     3.359e-01    2.134e-02
  176     176.000s     3.246e-01     3.340e-01    9.410e-03
  177     177.000s     3.343e-01     3.322e-01   -2.102e-03
  178     178.000s     3.434e-01     3.303e-01   -1.309e-02
  179     179.000s     3.519e-01     3.284e-01   -2.346e-02
  180     180.000s     3.598e-01     3.266e-01   -3.318e-02
  181     181.000s     3.669e-01     3.247e-01   -4.221e-02
  182     182.000s     3.735e-01     3.229e-01   -5.054e-02
  183     183.000s     3.793e-01     3.211e-01   -5.820e-02
  184     184.000s     3.845e-01     3.193e-01   -6.523e-02
  185     185.000s     3.892e-01     3.175e-01   -7.166e-02
  186     186.000s     3.933e-01     3.157e-01   -7.758e-02
  187     187.000s     3.970e-01     3.139e-01   -8.303e-02
  188     188.000s     4.003e-01     3.122e-01   -8.810e-02
  189     189.000s     4.032e-01     3.104e-01   -9.284e-02
  190     190.000s     4.060e-01     3.087e-01   -9.731e-02
  191     191.000s     4.085e-01     3.069e-01   -1.016e-01
  192     192.000s     4.108e-01     3.052e-01   -1.056e-01
  193     193.000s     4.130e-01     3.035e-01   -1.095e-01
  194     194.000s     4.149e-01     3.018e-01   -1.132e-01
  195     195.000s     4.168e-01     3.001e-01   -1.167e-01
  196     196.000s     4.184e-01     2.984e-01   -1.200e-01
  197     197.000s     4.197e-01     2.967e-01   -1.230e-01
  198     198.000s     4.207e-01     2.950e-01   -1.257e-01
  199     199.000s     4.214e-01     2.934e-01   -1.280e-01
  200     200.000s     4.215e-01     2.917e-01   -1.298e-01
  201     201.000s     4.211e-01     2.901e-01   -1.311e-01
  202     202.000s     4.201e-01     2.884e-01   -1.317e-01
  203     203.000s     4.184e-01     2.868e-01   -1.316e-01
  204     204.000s     4.160e-01     2.852e-01   -1.308e-01
  205     205.000s     4.127e-01     2.836e-01   -1.291e-01
  206     206.000s     4.085e-01     2.820e-01   -1.265e-01
  207     207.000s     4.035e-01     2.804e-01   -1.231e-01
  208     208.000s     3.976e-01     2.788e-01   -1.188e-01
  209     209.000s     3.909e-01     2.773e-01   -1.137e-01
  210     210.000s     3.834e-01     2.757e-01   -1.077e-01
  211     211.000s     3.751e-01     2.741e-01   -1.009e-01
  212     212.000s     3.661e-01     2.726e-01   -9.350e-02
  213     213.000s     3.566e-01     2.711e-01   -8.549e-02
  214     214.000s     3.466e-01     2.695e-01   -7.702e-02
  215     215.000s     3.362e-01     2.680e-01   -6.821e-02
  216     216.000s     3.257e-01     2.665e-01   -5.918e-02
  217     217.000s     3.151e-01     2.650e-01   -5.007e-02
  218     218.000s     3.045e-01     2.635e-01   -4.101e-02
  219     219.000s     2.941e-01     2.620e-01   -3.212e-02
  220     220.000s     2.841e-01     2.606e-01   -2.352e-02
  221     221.000s     2.744e-01     2.591e-01   -1.531e-02
  222     222.000s     2.652e-01     2.576e-01   -7.573e-03
  223     223.000s     2.566e-01     2.562e-01   -3.824e-04
  224     224.000s     2.485e-01     2.547e-01    6.222e-03
  225     225.000s     2.411e-01     2.533e-01    1.222e-02
  226     226.000s     2.343e-01     2.519e-01    1.761e-02
  227     227.000s     2.281e-01     2.505e-01    2.241e-02
  228     228.000s     2.224e-01     2.491e-01    2.666e-02
  229     229.000s     2.172e-01     2.476e-01    3.044e-02
  230     230.000s     2.125e-01     2.463e-01    3.380e-02
  231     231.000s     2.080e-01     2.449e-01    3.684e-02
  232     232.000s     2.038e-01     2.435e-01    3.966e-02
  233     233.000s     1.998e-01     2.421e-01    4.234e-02
  234     234.000s     1.958e-01     2.408e-01    4.500e-02
  235     235.000s     1.917e-01     2.394e-01    4.771e-02
  236     236.000s     1.875e-01     2.381e-01    5.057e-02
  237     237.000s     1.831e-01     2.367e-01    5.363e-02
  238     238.000s     1.784e-01     2.354e-01    5.695e-02
  239     239.000s     1.735e-01     2.341e-01    6.057e-02
  240     240.000s     1.682e-01     2.327e-01    6.450e-02
  241     241.000s     1.627e-01     2.314e-01    6.873e-02
  242     242.000s     1.569e-01     2.301e-01    7.322e-02
  243     243.000s     1.509e-01     2.288e-01    7.793e-02
  244     244.000s     1.448e-01     2.275e-01    8.278e-02
  245     245.000s     1.386e-01     2.263e-01    8.770e-02
  246     246.000s     1.324e-01     2.250e-01    9.257e-02
  247     247.000s     1.264e-01     2.237e-01    9.729e-02
  248     248.000s     1.207e-01     2.225e-01    1.017e-01
  249     249.000s     1.154e-01     2.212e-01    1.058e-01
  250     250.000s     1.105e-01     2.200e-01    1.094e-01
  251     251.000s     1.063e-01     2.187e-01    1.124e-01
  252     252.000s     1.028e-01     2.175e-01    1.147e-01
  253     253.000s     9.997e-02     2.163e-01    1.163e-01
  254     254.000s     9.799e-02     2.150e-01    1.171e-01
  255     255.000s     9.684e-02     2.138e-01    1.170e-01
  256     256.000s     9.653e-02     2.126e-01    1.161e-01
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  753     753.000s     1.723e-01     1.285e-02   -1.595e-01

============================================================

