RE: CrySize error in TOPAS

2016-08-01 Thread Łukasz Kruszewski
gt; >> James P. Cline >> Materials Measurement Science Division National Institute of Standards >> and Technology >> 100 Bureau Dr. stop 8520 [ B113 / Bldg 217 ] Gaithersburg, MD >> 20899-8523USA jcl...@nist.gov >> (301) 975 5793 >> FAX (301) 975 533

Re: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
Hello Peter. Thank you very much. I will do so and check it. I find this mailing list very useful - a lot of useful informations from kind people that like to share - thank you! Best regards, Łukasz Kruszewski > If you switch from GUI mode to launch mode and perform refinement, you > will > see

RE: CrySize error in TOPAS

2016-07-27 Thread Alan Coelho
very long peak tails. cheers alan -Original Message- From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of "Lukasz Kruszewski" Sent: Thursday, July 28, 2016 3:21 AM To: Cline, James Dr. (Fed) Cc: rietveld_l@ill.fr; "Łukasz Kruszewski" Subject: R

RE: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
20899-8523    USA > jcl...@nist.gov > (301) 975 5793 > FAX (301) 975 5334 > > -Original Message- > From: "Łukasz Kruszewski" [mailto:lkruszew...@twarda.pan.pl] > Sent: Wednesday, July 27, 2016 1:08 PM > To: Cline, James Dr. (Fed) > Cc: rietveld_l@ill.fr; &quo

RE: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
20899-8523    USA > jcl...@nist.gov > (301) 975 5793 > FAX (301) 975 5334 > > -Original Message- > From: "Łukasz Kruszewski" [mailto:lkruszew...@twarda.pan.pl] > Sent: Wednesday, July 27, 2016 1:08 PM > To: Cline, James Dr. (Fed) > Cc: rietveld_l@ill

RE: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
20899-8523    USA > jcl...@nist.gov > (301) 975 5793 > FAX (301) 975 5334 > > -Original Message- > From: "Łukasz Kruszewski" [mailto:lkruszew...@twarda.pan.pl] > Sent: Wednesday, July 27, 2016 1:08 PM > To: Cline, James Dr. (Fed) > Cc: rietveld_l@ill

Re: CrySize error in TOPAS

2016-07-27 Thread Peter Y. Zavalij
If you switch from GUI mode to launch mode and perform refinement, you will see correlation matrix at the end of .inp file and can tell which parameters correlate a lot and figure out what's causing such large error. I also think that this error is not strange for such large cryst.size as it is bas

RE: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
20899-8523    USA > jcl...@nist.gov > (301) 975 5793 > FAX (301) 975 5334 > > -Original Message- > From: "Łukasz Kruszewski" [mailto:lkruszew...@twarda.pan.pl] > Sent: Wednesday, July 27, 2016 1:08 PM > To: Cline, James Dr. (Fed) > Cc: rietveld_l@ill

RE: CrySize error in TOPAS

2016-07-27 Thread Cline, James Dr. (Fed)
esday, July 27, 2016 1:08 PM To: Cline, James Dr. (Fed) Cc: rietveld_l@ill.fr; "Łukasz Kruszewski" Subject: RE: CrySize error in TOPAS Hello James. I just read the error that is reported for each refined parameter in TOPAS. I obtain value like, e.g., 9000 nm, and the error is, e.g.,

Re: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
Hello Saul. Thank you for your reply. I've meant the calculated statistical error, that is calculated for each refined parameter in TOPAS; the values themselves seem to be correct, i.e., they are in the limits described as <20, 1>. Best regards, Łukasz Kruszewski > Also do you mean error (a

RE: CrySize error in TOPAS

2016-07-27 Thread Łukasz Kruszewski
Hello James. I just read the error that is reported for each refined parameter in TOPAS. I obtain value like, e.g., 9000 nm, and the error is, e.g., 205006. Best regards, Łukasz Kruszewski > By what metric are you determining that the CrySize value is in error? > > > James P. Cline > Materials

Re: CrySize error in TOPAS

2016-07-27 Thread Saul Lapidus
Also do you mean error (as in correct value) or calculated statistical uncertainty? Saul On Wed, Jul 27, 2016 at 9:22 AM, "Łukasz Kruszewski" wrote: > Dera friends, > > I'm doing Rietveld refinements in TOPAS; I get rather good fit of the > reflections, rather good wt.%, but I've observed large

RE: CrySize error in TOPAS

2016-07-27 Thread Cline, James Dr. (Fed)
By what metric are you determining that the CrySize value is in error? James P. Cline Materials Measurement Science Division   National Institute of Standards and Technology 100 Bureau Dr. stop 8520 [ B113 / Bldg 217 ] Gaithersburg, MD 20899-8523    USA jcl...@nist.gov (301) 975 5