mailRe: Relaxation curve fitting


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Posted by Edward d'Auvergne on March 03, 2014 - 18:02:
Hi Mengjun,

If you are using the GUI, you don't need to change the qtgrace.exe
file.  The grace.view user function window allows you to choose the
Grace executable file.  Just click on the "Select the file" button and
select the qtgrace.exe file.

Regards,

Edward



On 3 March 2014 17:51,  <mengjun.xue@xxxxxxxxxxxxxxxxxxxx> wrote:
Hi Troels and Martin,

Thank you so much for your responses. According to your suggestions, the raw
intensities data can be extracted from results.bz file or rx.save.bz2 file
now.

For the xmgrace installation, I have downloaded qtgrace at
http://sourceforge.net/projects/qtgrace/, and uppack it to
C:\Python27\qtgrace_windows_binary, in the
C:\Python27\qtgrace_windows_binary\bin folder, I found qtgrace.exe,but I did
not find xmgrace.exe, how to put both qtgrace.exe and xmgrace.exe in the
same bin folder? xmgrace.exe should be downloaded from internet and then put
it in the same bin file? Thank you so much.

Best regards,

Mengjun





Quoting Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>:

Dear Mengjun.

For xmgrace installation, follow this:

http://wiki.nmr-relax.com/Installation_windows_Python_x86-32_Visual_Studio_Express_for_Windows_Desktop#xmgrace_-_for_the_plotting_results_of_NMR-relax

In short.
1 ) Download and install
2) Copy qtgrace.exe to xmgrace.exe in same folder
3) Add to your windows path, the path to where xmgrace.exe resides.
4) Test it with opening "cmd" and write "xmgrace". (You may need to
restart computer to update PATH)

Or if you have matplob lib, try this tutorial:
http://wiki.nmr-relax.com/Matplotlib_example



2014-03-03 16:11 GMT+01:00  <mengjun.xue@xxxxxxxxxxxxxxxxxxxx>:

Hi Edward,

I have tried to use relax_fit.py to extract R1 data, I have got 3 files:
rx.out file (R1 values), rx.save.bz2 file, and results.bz2 file, as
Xmgrace
is not available on my computer, I want to display the intensity decay
curves in others software, so how to extract the raw data from the output
(results.bz2) of relax_fit.py? It seems rx.save.bz2 file is same to
results.bz2 file. Thank you very much.

With best regards,

Mengjun Xue


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