Dear Cora, If you want your wRp factor be meaningful you should keep your standard deviations in the data file.
After saying that, coming back to the real world, it seems that your problem is related with the format that CONVERT is using to write down the file in STD format. In the STD format of GSAS it is assumed that sigma(I)=sqrt(I), the only way in which this is true is that the intensity is the true number of counts, thus a positive integer. If you still want to use CONVERT to do this you should re-scale your intensities to avoid truncation of non-integer numbers, in your case each intensity by 100 and you'll get integers. Another way of doing this (without writing the whole GSAS file again with the re-scaled intensities) could directly be deleting all the decimal points in the intensity part of the file (just a global find-replace). I guess CONVERT can deal with lines with less than 80 characters. If not I suggest you using an EXCELL spreadsheet or similar program to format your data in the needed way. If you are planning to ignore the standard deviations I would suggest you to look for a scale factor that approximately makes sqrt(I)~esd(I) for the most of your intensities you can, in that way at least the R factors will not be completely meaningles. Usualy if you rescale your data by X you can easily get X from esd^2/I. Good luck. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 252 7777 URL: http://www.msd.anl.gov/groups/nxrs/personnel/suescun/index.html -----Original Message----- From: Cora Lind [mailto:[EMAIL PROTECTED] Sent: Wednesday, June 28, 2006 4:46 PM To: [email protected] Hello everybody! I am trying to convert a GSAS ESD file to a GSAS STD file (to use in FullProf). I successfully used the program "Convert" to do so, but when I plotted my data, I realized that Convert erased all my numbers after the decimal point, leading to very crude patterns with very obvious steps (this is high-pressure data, so for higher pressures, the overall intensity differences are not all that high). Does anybody know a simple solution to this problem, like a different conversion program, or a way to get Convert to keep the 2 decimal places? Cora ******************************************* Dr. Cora Lind WO 2262 Department of Chemistry, MS 602 University of Toledo Toledo, OH 43606-3390 Phone: (419) 530-1505 (W) (419) 472-8364 (H) (607) 592-4650 (Cell - when traveling) Fax: (419) 530-4033 (W) (419) 472-8364 (H) e-mail: [EMAIL PROTECTED] *******************************************
BEGIN:VCARD VERSION:2.1 N:Suescun;Leopoldo FN:Leopoldo Suescun ([EMAIL PROTECTED]) ORG:Argonne National Laboratory - Materials Science Division TITLE:Postdoctoral Appointee TEL;WORK;VOICE:+1 (630) 252-9760 TEL;HOME;VOICE:+1 (630) 910-1562 TEL;WORK;FAX:+1 (630) 252-7777 ADR;WORK:;;9700 S. Cass Ave.;Argonne;Illinois;60439;USA LABEL;WORK;ENCODING=QUOTED-PRINTABLE:9700 S. Cass Ave.=0D=0AArgonne, Illinois 60439=0D=0AUSA URL;WORK:http://www.msd.anl.gov/groups/nxrs/people/suescun.html EMAIL;PREF;INTERNET:[EMAIL PROTECTED] REV:20050630T182807Z END:VCARD
