Hello all, I would to find a software to simulate a diffractogramm knowing the crytallographic parameters (space group, a,b,c,alpha,etc...) of a material. The...
You might try CrystalDiffract from CrystalMaker (www.crystalmaker.co.uk). It's a commercial product for both Mac and Wintel platforms, and it allows...
Murowchick, James
murowchickj@...
Jul 3, 2007 4:07 pm
2053
Free Rietveld software: http://www-llb.cea.fr/fullweb/fp2k/fp2k.htm ... [Non-text portions of this message have been removed]...
Most Rietveld Refinement programs are able to simulate a pattern starting with structural information and a reasonable set of profile parameters. I know GSAS...
Leopoldo Suescun
leopoldo@...
Jul 3, 2007 4:42 pm
2055
Contact Oxford Cryosystems for the program Crystallographica which do this and much more It is free Mike glazer Mike Glazer from his Blackberry 07786960537 ......
Michael Glazer
glazer@...
Jul 4, 2007 5:30 am
2056
... Hi Mike. Inside of the "much more", can it calculate fast all the powder patterns corresponding to a multiple CIF containing 100.000 individual CIFs from...
I am not sure There has been recent update which may be ablle to read a multiple Cif Best thing is to try it Mike Mike Glazer from his Blackberry 07786960537 ...
Michael Glazer
glazer@...
Jul 4, 2007 5:51 am
2058
Dear All, please suggest how to calculate Dislocation density from the powder XRD data, Thanks in advance SM [Non-text portions of this message have been...
Murugesan S
muruges@...
Jul 4, 2007 11:32 am
2059
... You will find 147 pages with reference to "dislocation" and 55 pages to "dislocation density" in the book : Diffraction Analysis of the Microstructure of...
Dear list members, with this mail I want to draw your attention for a job opportunity at PANalytical. With best regards, Martijn Fransen Job Opportunity: ...
martijn.fransen@...
Jul 4, 2007 7:33 pm
2061
hi, you can used powdercell, it's a free program. bye for now samir. chentouf samir-mourad ...
Thanks very much for all these informations. Is it possible to simulate a difractogramm with a mixture of two materials ? Thanks all. for your answers. SM ... ...
This is exactly the kind of thing that Crystallographica is best at. Mike Glazer .------------------------------------------------------- ... De:...
Michael Glazer
glazer@...
Jul 5, 2007 11:50 am
2064
Dear all, You can also simulate powder patterns with Fox - as with any other Rietvel program as already pointed out. And more specifically for Armel, you can...
Vincent Favre-Nicolin
vincefn@...
Jul 5, 2007 11:15 pm
2065
... For making the OAPDF (Open Access Powder Diffraction File). 100.000 is "only" 15% of the full number to attain... The PPDF (Predicted Powder Diffraction...
... Actually my question was not about the number of cif files, but rather about why they are in a single file. If you are interested I can make it work for a...
Favre-Nicolin Vincent
vincefn@...
Jul 6, 2007 10:01 am
2067
... Only for a more easy handling. No problem to separate the files into individual CIFs (with a cutter software named CUTCIF). Such multiple files take less...
Dear Armel, ... Then I do not understand - from that page it seems that you already have one program (CIF2POW) which does the conversion from cif to your...
Favre-Nicolin Vincent
vincefn@...
Jul 6, 2007 2:39 pm
2069
... have ... format, so ... CIF2POW is only able to cope with the predicted structures from the GRINSP software. All these structures are described in the P1...
Dear all, is there anybody trying de program XLENS incorporate in the suite FULLPROF? I've make all the suggestion to configure the PCR following the manual to...
Hello, everyone: Good day! I have some questions on GSAS 1. I found some parameters such as wRp ,Rp, Chi**2, How to convert them to Rwp, Rb,Rexp and GOF? 2. I...
bai
niansanlang@...
Jul 11, 2007 5:04 am
2072
Dear Professor Armel I have been using some experimental CIF files available in the net for different materials for the simulation of powder pattern. I am...
Hi, I am not an expert in charge density distribution study (this is certainly not the purpose of this SDPD mailing list). I would say that charge density...
Dear All, I try to save the plot file as a GIF or JPG iamge in wgnuplot program, but I can't, please tell me how to get an out put file as an image from the...
Murugesan S
muruges@...
Jul 16, 2007 8:24 am
2075
hi, please, when you have precipitates.the size of precipitate have to be take in consideration? or just the amount of these precipitates (i think 8% in ...
Hi, We're looking to hire a speacialist in XRD for our new laboratory. Here's the official link: http://www.eracareers.pt/opportunities/index.aspx? ...
Hi, My name is Semih Seyyidoglu. I am a 4th year PhD student in Crystallography at Department of Chem. in Middle East Technical Univ., Ankara, Turkey. I...
The Miniflex has a software, the binary -> ascii convertion, this software converts .raw to .txt remember mark "profile data (2theta,intensity) only, after...
Manuel A.E. Sanchez (...
espinoza@...
Jul 24, 2007 1:31 pm
2079
... You can create an instrument file from EXPGUI by starting the INSTEDIT program from the powder menu bar or from the 'add new histogram' window. In order to...
... If you don't have access to the export function and just have a .RAW file, you can convert it on the web at http://www.csrri.iit.edu/cgi-bin/reflex.cgi We...
Having problems with message search?
Fill out this form to ensure your group is one of the first to be migrated to the new message search system.
