Hi,
A simple test for this would be to use the relax optimisation (minfx,
https://gna.org/projects/minfx/) rather than Art Palmer's Modelfree4
as an optimisation engine, and then see if you get the same result.
Note that the SSE values are dependent on two things - the more data
the higher the value; and the smaller the relaxation data errors, the
larger the SSE. The high SSE values would only be a relax bug if
relax is feeding the wrong data and errors to Modelfree4, otherwise
the bug will be in Modelfree4 itself. The absolute value of the
number doesn't really say much, but I would recommend using the Newton
optimisation algorithm in relax through the 'full_analysis.py' script
and then you can compare the result (to understand my bias, please see
my papers or my PhD thesis at http://www.nmr-relax.com/refs.html ;).
I hope this helps.
Regards,
Edward
On Tue, Aug 4, 2009 at 4:47 PM,
anonymous<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/support/?2402>
Summary: high SSE values with Model Free runs
Project: relax
Submitted by: None
Submitted on: Tuesday 08/04/2009 at 16:47 CEST
Category: None
Priority: 5 - Normal
Severity: 3 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Email: mikaela.stewart@xxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Operating System: GNU/Linux
_______________________________________________________
Details:
I am using relax to run Palmer's model free. The program converges after a
normal number of rounds (9-15) and gives me S2, te, Rex etc that agree with
the literature for the proteins I'm working with. However, the SSE values
seem abnormally high. There are a few low values (<2) but a majority are
greater than 20 with some as high as 300. Have I made a mistake in running
the program or am I misinterpreting the values? I've tried using reported
data from the literature and I have the same problem that I get when running
my data for my protein of interest. Thank you for your help.
_______________________________________________________
Reply to this item at:
<http://gna.org/support/?2402>
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Re: [sr #2402] high SSE values with Model Free runs