Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

2015-01-19 Thread Edward d'Auvergne
Hi Troels, Could you rename spin.sos to spin.sse? This is the acronym used in the field and by other software - the sum of squared errors (https://en.wikipedia.org/wiki/Residual_sum_of_squares, http://www.palmer.hs.columbia.edu/software/modelfree_manual.pdf). If the individual SSE elements are

Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

2015-01-19 Thread Edward d'Auvergne
Ah! It could be what I've seen with the model-free analysis. It could be that the high precision optimisation in relax avoids the problems of parameter error overestimation due to the real minimum being located in a broad region or tunnel in the space. Do you know the reason for the large kex

Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

2015-01-19 Thread Troels Emtekær Linnet
Hi Edward. I am now trying to follow page 109-111. http://www.graphpad.com/faq/file/Prism4RegressionBook.pdf Generating confidence intervals via model comparison Here, I have locked all values except kex. # The number of parameters to check is kex = 1. P = 1 # Number of datapoints N = 1952 # The

Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

2015-01-19 Thread Troels Emtekær Linnet
Hi Edward. I actually think that I have created local minima in my dataset, which is not caught. I am looking into it. 2015-01-19 10:30 GMT+01:00 Edward d'Auvergne edw...@nmr-relax.com: Hi, Maybe we should discuss on the original thread the problem in detail and see if there is a solution.