Re: Most efficient way to compare spin.X values between pipes -- February 14, 2014 - 13:55

I think the most efficient way would be writing out the values to flat files, and then do the analysis on a later point:

This would be the value.write function

http://www.nmr-relax.com/manual/index.html
value.write(param="r2eff", comment="My comment", file="test.txt", force=True)

2014-02-14 12:50 GMT+01:00 Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>:

Hi,

I need an efficient way to compare spin.X values between pipes.

Here X could be:

- spin.r2eff

- spin.chi2

- spin.kex

etc.

I have tried implementing the following:

for spin, mol_name, res_num, res_name, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):

    cur_r2eff = spin.r2eff[index_str]

The problem is that r2eff is a saved as a dictionary, with a current name convention of:

sq_cpmg_599.%8f_0.000_100.000
sq_cpmg_599.%8f_0.000_133.333
sq_cpmg_599.%8f_0.000_133.%3f

This naming convention is likely to change pattern.

Do there exist a efficient way to compare data values between two pipes?

I would need to compare one pipe to about 50 other pipes, where each

pipe contains about 80 spins recorded at 10-15 v_cpmg frequencies.

The difference between pipe data would undergo standard statistics as RMS etc.

Best
Troels