Hi Troels,
I was wondering if this bug is still present in relax? The bug report
is still open.
Cheers,
Edward
On 14 January 2015 at 13:47, Troels E. Linnet
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/bugs/?23186>
Summary: Error calculation of individual parameter "dw"
from
Monte-Carlo, is based on first spin.
Project: relax
Submitted by: tlinnet
Submitted on: Wed 14 Jan 2015 12:47:37 PM UTC
Category: None
Specific analysis category: Relaxation dispersion
Priority: 7 - High
Severity: 4 - Important
Status: None
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: Repository: trunk
Discussion Lock: Any
Operating System: All systems
_______________________________________________________
Details:
This was discovered in post:
http://thread.gmane.org/gmane.science.nmr.relax.user/1795
The problem is in:
specific_analyses.relax_disp/api.sim_return_param()
------------------
# Convert the parameter index.
if model_param:
param_name, si, mi = param_index_to_param_info(index=index,
spins=spins)
if not param_name in ['r2eff', 'i0']:
si = 0
else:
param_name = aux_params[index - total_param_num]
si = 0
mi = 0
...............
# Model and auxiliary parameters.
else:
sim_data = getattr(spins[si], param_name + "_sim")
------------------------------
Since si = 0, it takes dw values from initial spin, and uses this as error
for
all spins.
This is not correct.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?23186>
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Re: [bug #23186] Error calculation of individual parameter "dw" from Monte-Carlo, is based on first spin.