XFit issue

Hi, I am trying to do a profile fit using XFit. When I try to fit using FitMarqardt, I see an error statement which says, values for all the XRD data points must be greater than or equal to 1 Can someone let me know what is the cause of this error. Thanks a lot. regards Sajeev Moorthiyedath

CEL files

Hi, I am trying to obtain a structure of Strontium Silicate (Sr2SiO4) using PowderCell. I exported a cel file from ICSD database. When I try to load this file in the PowderCell, I am getting error message saying symbol 0.25 not found. Is there a way I can fix this problem. Is this problem due

Crystal size in GSAS

Hi, I am wondering if GSAS calculates the crystal size? If not how can I calculate the crystal size? I am using a profile type 3 function (psedo voight) and obtaining the GU,GV,GW values as 0,0, 1.27 E+04 for a Pt/C phase respectively. The Chi-square fit is 2.164. Thankyou. regards, Sajeev

Re: Crystal size in GSAS

Bob, Thanks a lot for the info. regards, Sajeev Moorthiyedath Cabot Corporation 5401 Venice Ave NE Albuqerque, NM 87113 direct (505) 563 4426 fax (505) 342-2168 Von Dreele,

Re: Structure of Potassium chloride

Folks, Thanks for the information. Really helps. regards, Sajeev Moorthiyedath Cabot Corporation 5401 Venice Ave NE Albuqerque, NM 87113 direct (505) 563 4426 fax (505) 342-2168 Andreas

Re: Access to ICSD database.

Thanks Alan... Sajeev Moorthiyedath Cabot Corporation 5401 Venice Ave NE Albuqerque, NM 87113 direct (505) 563 4426 fax (505) 342-2168 Alan Hewat

Structure of Potassium chloride

Hi, Can some one tell me the crystal structure of Potassium Chloride. I tried to look at the ICSD database. It doesnt seem to work. Thankyou. regards, Sajeev Moorthiyedath Cabot Corporation 5401 Venice Ave NE Albuqerque, NM 87113 direct (505) 563 4426 fax (505) 342-2168

Access to ICSD database.

Hi Rietvelders, How can I get access to the ICSD database through the web? I found a link at http://icsdweb.fiz-karlsruhe.de/. But can I get free access to these databases and if so how can I get to register here? Thankyou. Sajeev Moorthiyedath Cabot Corporation 5401 Venice Ave NE Albuqerque,

Converting .RAW file to correct format in GSAS

Hi, I am trying to import a histogram which is in the .RAW format into GSAS. I am having problems converting this into the correct format for GSAS. The error says permission denied. How can I solve this problem and/or get a permission to convert such files. Thankyou. regards, Sajeev