[Ifeffit] number of independent points

dcnguyen dcnguyen at gate.sinica.edu.tw
Thu Mar 30 22:07:08 CDT 2017

Dear Seniors,

I have an issue of a discrepancy between values of independent points calculated by Demeter 0.9.25, on Windows 7, shown on the path page and the one presented on the log file after a fit to data. For an example, I use the file named FeS2_final.fpj that you have in your computer, and choose an R-range 1.2-4.2 A, and a k-range 3.00-14.80. Then the N value is calculated by Artemis and shown as 22.54 after clicking "shown Nidp" from the "Data" tab on the path page. The value is consistent with the formula N=(2/pi)*delta_K*delta_R. However, after I click the "Fit" button and look at the Log file, the Nidp is shown as 22.0312500. My question is what causes this discrepancy. When publishing data, which number shoud be reported? Thank you.

Duc-Chau Nguyen
IoP, Academia Sinica, Taiwan

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