mail[task #7180] Import of BRUKER Protein Dynamic Center Protject


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Posted by Edward d Auvergne on November 29, 2010 - 15:17:

Follow-up Comment #2, task #7180 (project relax):

B:
The absolute worst scenario would be  to check for the largest ever ocuring
difference and assign that to all
3 peaks at all mixing times. This we used in earlier versions of the PDC.

In this case there is no sd(error).  So using 100 peaks and repeating the
calculation a number of times:

[edau@localhost peak_intensity_errors]$ python sampling_test2.py
N = 2, error = 5.005
N = 3, error = 4.485
N = 4, error = 3.863
N = 5, error = 4.268
N = 6, error = 5.392
N = 100, error = 5.353
[edau@localhost peak_intensity_errors]$ python sampling_test2.py
N = 2, error = 4.161
N = 3, error = 4.056
N = 4, error = 5.135
N = 5, error = 3.890
N = 6, error = 4.412
N = 100, error = 5.469
[edau@localhost peak_intensity_errors]$ python sampling_test2.py
N = 2, error = 3.550
N = 3, error = 4.184
N = 4, error = 4.574
N = 5, error = 4.182
N = 6, error = 5.080
N = 100, error = 5.973
[edau@localhost peak_intensity_errors]$ python sampling_test2.py
N = 2, error = 4.549
N = 3, error = 3.824
N = 4, error = 5.337
N = 5, error = 4.507
N = 6, error = 4.113
N = 100, error = 6.410
[edau@localhost peak_intensity_errors]$ python sampling_test2.py
N = 2, error = 3.966
N = 3, error = 4.667
N = 4, error = 4.770
N = 5, error = 4.708
N = 6, error = 5.058
N = 100, error = 5.607

(file #11439)
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