Hallo, I have currently a problem with Artemis to fit my data. First, I import the paths from the Feff calculation and define my fitting parameters. Then I can run the fit exactly one time. If I try to fit the data a second time, I get the following error message: PATH: Au ( 9999 1 2.470 ---- @ Au @ 2 2 single scattering) The path file does not exist (perhaps the Feff calculation was not run). (and similar for all paths included...). Did anybody encounter a similar problem (I already reinstalled Demeter)? Best wishes, Yvonne -- Dr Yvonne Grunder Chemistry Building - 6.09 School of Chemistry The University of Manchester Manchester M13 9PL Tel.: +44 (0)161 306 4568
Yvonne, This is the sort of thing I cannot comment on without being able to reproduce it on my own computer. Can you send me the project file that demonstrates this problem? B On Friday, April 20, 2012 07:59:48 am Yvonne Grunder wrote:
Hallo,
I have currently a problem with Artemis to fit my data. First, I import the paths from the Feff calculation and define my fitting parameters. Then I can run the fit exactly one time. If I try to fit the data a second time, I get the following error message: PATH: Au ( 9999 1 2.470 ---- @ Au @ 2 2 single scattering) The path file does not exist (perhaps the Feff calculation was not run). (and similar for all paths included...).
Did anybody encounter a similar problem (I already reinstalled Demeter)?
Best wishes, Yvonne
-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
participants (2)
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Bruce Ravel
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Yvonne Grunder