Hi Everyone,
I am preparing a cif file from an inorganic compound measured with
X-ray, I get an unexpected error during chechCIF evaluation as below,
Alert level A,PLAT939_ALERT_3_A Large Value of Not (SHELXL) Weight
Optimized S . 1029.36 Check
I check the disagreeable reflection and there is no more than 10.
Please let me know how I can solve or justify this error if you have
already encountered such a problem.
Best Regards
--
Soheil Mahmoudi MSc,
Department of Inorganic Chemistry,
Faculty of Chemistry,
University of Vienna,
Währinger Straße 42,
1090 Wien
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