mail[bug #23619] Stored chi2 sim values from Monte-Carlo simulations does not equal normal chi2 values


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Posted by Troels E. Linnet on June 11, 2015 - 13:01:
Update of bug #23619 (project relax):

                  Status:                    None => Invalid                
             Open/Closed:                    Open => Closed                 

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Follow-up Comment #2:

This bug is invalid.

The problem can be solved by selecting another distribution to draw the errors
from.

Before, the fitted chi2 was: 6249.52554918

A sample of 500 MC fitted chi2 was then:
926.6754336751644, 964.0109732186118, 1025.9989433716908, 1043.960525627065,
1001.5430340126602, 1011.4727841212358, 980.6200561189471, 1009.6621226424397,
977.0688338566254, 

By chosing to draw errors from the overall fit, instead of individual errors:
monte_carlo.create_data(distribution='red_chi2')

A sample of the 500 MC fittede chi2 is now:
6015.742665115796, 6735.870964603169, 6699.677733437879, 6336.189620385313,
5949.360127468063, 6264.302556809358, 6949.976694308039, 6220.975080541431,
6294.342637959295, 

This shows, that the loaded errors for the intensities is properly to low. The
loaded intensity errors is based on the noise RMSD of the spectra.

Therefore, this problem is not related to relax, but is related to the data
quality.


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