On 01/22/2014 10:40 AM, Danilo Oliveira de Souza wrote:
Dear list,
I have a big collection of data from a catalytic reaction. I tried to export all the spectra (about 200) to a unique file containing the normalized ones. I used the "File>Save marked groups as>norm(E)" option. Unfortunately, Athena (Demeter 0.9.18) is not able to make one unique file (it crashes and I have to initialize it again), instead I had to creat 4 different files of 45 spectra each (the maximum group I could gather on a file). Is there any bug on it or some kind of limitation to creat these kind of files?
The fact that Ifeffit, written in Fortran, has hard-wired limits on things has been discussed dozens of times on this mailing list. The advice to partition your data into groups of about 50 has been given on this mailing list dozens of times. Y'know, this mailing list has been archived since the beginning and can be searched. A quick skim of the Ifeffit source code (another thing anyone can do) suggests that the hard-wired limit for the maximum number of columns in an output data file is 99. I will try to preempt Matt's response and say that Larch addresses most of these limitations. A version of Athena which can talk to Larch (replacing Ifeffit as the computational backend) will be available soon. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel