Export chi(R) with different kw
Hi, I am fitting results and I would like to export the chi(R) with different kw to show the change and remark the shell composed by light atoms from the one composed by heavy ones, Is this possible? Thanks in advance, euG
On 10/12/2013 12:32 AM, Eugenio Otal wrote:
Hi, I am fitting results and I would like to export the chi(R) with different kw to show the change and remark the shell composed by light atoms from the one composed by heavy ones, Is this possible?
Yes, but not in a single file. The exported chi(R) respects the current kw selection used for plotting. So if you plot with kw=1, the file written with "save current group as chi(R)" will use kw=1. Then plot with kw=2 and save again, this time with kw=2. Obviously, you need to take care not to overwrite the files. B -- Bruce Ravel --------------------- bruceravel1@gmail.com Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
I guess I answered this using the menu language in Athena, while your question was about Artemis. Happily, the chi(R) output files work the same way in Artemis. Change the plotting k-weight and you change the k-weighting used in the chi(R) output files. B On 10/12/2013 08:41 AM, Bruce Ravel wrote:
On 10/12/2013 12:32 AM, Eugenio Otal wrote:
Hi, I am fitting results and I would like to export the chi(R) with different kw to show the change and remark the shell composed by light atoms from the one composed by heavy ones, Is this possible?
Yes, but not in a single file. The exported chi(R) respects the current kw selection used for plotting. So if you plot with kw=1, the file written with "save current group as chi(R)" will use kw=1. Then plot with kw=2 and save again, this time with kw=2. Obviously, you need to take care not to overwrite the files.
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
Hello Bruce,
thanks the answer.
Have a nice day.
Regards, euG
2013/10/12 Eugenio Otal
Hi, I am fitting results and I would like to export the chi(R) with different kw to show the change and remark the shell composed by light atoms from the one composed by heavy ones, Is this possible? Thanks in advance, euG
Dear Bruce,
you are right, the initial question was about Artemis and it works perfect.
Thanks again.
euG
2013/10/12 Eugenio Otal
Hello Bruce, thanks the answer. Have a nice day. Regards, euG
2013/10/12 Eugenio Otal
Hi, I am fitting results and I would like to export the chi(R) with different kw to show the change and remark the shell composed by light atoms from the one composed by heavy ones, Is this possible? Thanks in advance, euG
participants (3)
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Bruce Ravel
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Bruce Ravel
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Eugenio Otal