Hi Mariano
This error you found is a bug in the software. The back calculation
function is very old and I did not make the transition to the newer data
management inside NESSY. I have fixed the issue now. As far as I can see
are you working on Windows. The fixed version of NESSY is only included
in the source code (svn development version) of NESSY. If you would like
to access the newer version, you will have to install each Python
package (and python) as described on
http://home.gna.org/nessy/download.html. Then you will need to use
subversion to access the development code
(http://subversion.tigris.org/). Alternatively, you can download the
source code of NESSY 12.3.1 and I can send you the patched file in
another mail.
All the new fixes will be included in the next NESSY release, which
won't be too soon.
Hope this helped.
Cheers,
Michael
Am 19.05.2012 04:11, schrieb Mariano Gonzalez:
Dear Michael,
I have three sets of experiments with the following delays (Hz):
1) 0 (reference 1) 66 100 166 266 400 600
2) 0 (reference 2) 33 133 200 333 766
3) 0 (reference 3) 33 966
I used the first data set as Data Experiment 1 and then when I tried
to use the option "Back calculate Intensities":
Select new reference peak list: 0 (reference 2)
Select peak list: 33
I get the following error message and cannot obtain the ouput sparky-format
file:
Execution Protocol......
NESSY error> Traceback (most recent call last):
NESSY error> File
"C:\Users\michael\Python\pyinstaller-1.4\nessy\build\pyi.win32\nessy\outPYZ1.pyz/func.backcalc",
line 176, in calc
NESSY error> TypeError
NESSY error> :
NESSY error> float() argument must be a string or a number
NESSY error>
the sparky-file is:
Assignment w1 w2 Data Height
V4N-H 122.113 8.207 7425034
E5N-H 125.856 8.448 5615799
Thanks for your help.
Cheers
Mariano Gonzalez
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