Hi Maddy,
I'm in the process of adding this data to the relax test suite, and
noticed that the integrated values have 'bx' after it. Would you know
what that is? Are you using box integration, or measuring peak
heights? Can CCPN Analysis measure peak heights? If you are using
box integration without duplicate spectra, this significantly
complicates the analysis as you will need to know the exact number of
points used in each box. Peak heights are a much better way of
determining the peak intensities as one advantage is that the errors
are much easier to ascertain.
Regards,
Edward
On 17 December 2010 16:48, anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/bugs/?17341>
Summary: Compatibility with CCPN Analysis2.1
Project: relax
Submitted by: None
Submitted on: Fri 17 Dec 2010 03:48:15 PM UTC
Category: relax's source code
Severity: 2 - Minor
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: Madeleine Strickland
Originator Email: M.Strickland@xxxxxxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 1.3.5
Operating System: GNU/Linux
_______________________________________________________
Details:
When using FormatConverter (with CCPN Analysis2.1) you can output 'Sparky'
format peak lists for use with curve fitting in Relax. These have a
different
format to those expected by Relax1.3.5. Differences are:
Relax: Two header lines, Analysis: One header line
Relax: V1504N-HN, Analysis: V1504N-V1504HN
Relax: Peaks in order, Analysis: Random order of peaks
Attached: R1.py script, lists for two residues, log file of output from
Relax, sequence
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: log.txt Size: 24kB By: None
<http://gna.org/bugs/download.php?file_id=11610>
-------------------------------------------------------
Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: peak_lists.tar.gz Size: 645B
By: None
<http://gna.org/bugs/download.php?file_id=11611>
-------------------------------------------------------
Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: R1A.py Size: 4kB By: None
<http://gna.org/bugs/download.php?file_id=11612>
-------------------------------------------------------
Date: Fri 17 Dec 2010 03:48:15 PM UTC Name: sequence.out Size: 44B By:
None
<http://gna.org/bugs/download.php?file_id=11613>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?17341>
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Re: [bug #17341] Compatibility with CCPN Analysis2.1