Changing X-ray environment

2014-03-04 Thread gili cohen taguri
Dear members, I'm interested in isolating the humidity parameter during one of the XRD experiments, which seems to affect our sensitive material (some thin film on glass). Indeed, measuring the humidity inside the machine (SmartLab, Rigaku 3 KW) showed quiet high humidity of 44%. One of the

RE: on high pressure data indexing and unit cell reduction

2014-03-04 Thread Young, Lindsay
?hello everyone - thank you so much to those who have helped me thus far. I'm replying just to say that I sorted through the results from GSAS II this morning and I don't believe it was able to index this cell! since I failed to do so the first time, I am including the unit cell parameters I was

Re: on high pressure data indexing and unit cell reduction

2014-03-04 Thread Saul Lapidus
In some regards I believe a true check of a cell form indexing is a pawley or lebail fit. If such a fit is "good enough" (i.e. fits all the peaks of interest and does not have "too many" extra unobserved peaks and yes I know this is kind of a subjective criterion), I would call the indexing a preli

"a 32 years story involving Pawley and Le Bail methods + DFT"

2014-03-04 Thread Leonid Solovyov
Dear Colleagues,   Since the SDPD group apparently disappeared from Yahoo, I’m answering a query raised there some time ago using this yet unrestrained list. The query record is attached after the message.  The crystal structure solution of decafluorocyclohexene announced in the SDPD list as “a 32