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CCP14

Methods, Problems and Solutions

GSAS (General Structure Analysis System) Rietveld powder diffraction and Single Crystal software

Converting ISIS GSAS ALT Format into column and other formats

The CCP14 Homepage is at http://www.ccp14.ac.uk

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[The reference to use for GSAS in any resulting publications is: A.C. Larson and R.B. Von Dreele, "General Structure Analysis System (GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (1994).]

The following is from the Rietveld Users Mailng List

From: "L. Cranswick" [L.M.D.Cranswick@dl.ac.uk]
Subject: RIET: ISIS GSAS ALT to column file converter?
To: rietveld_l@ill.fr (Rietveld Mailing List)
Date: Sun, 3 Dec 2000 18:18:32 +0000 (GMT)
Reply-To: rietveld_l@ill.fr
X-Loop: rietveld_l@ill.fr
X-Sequence: 256


Is there a way to get from the GSAS ALT ISIS
file format to a standard EXCEL happy style 
column format?

(canned converters out there - or an option 
inside GSAS?)

Following is an extract of the file type.

Thanks in advance,

Lachlan.

Header                                                                   
BANK 2  4500  1125 RALF    64016   32    64337 0.0005 ALT                       
   64016  17673 1102   64048  16308 1238   64080  15976 1226   64112  15463 1207
   64144  16244 1238   64176  17855 1299   64208  17464 1285   64240  16807 1261
   64273  16798 1261   64305  17217 1278   64337  17767 1299   64369  18441 1324
   64401  18752 1336   64433  17410 1288   64466  16025 1236   64498  16563 1257
   64530  16574 1258   64562  16233 1246   64595  17255 1285   64627  17421 1292
   64659  16288 1250   64692  16085 1243   64724  17560 1299   64756  17992 1316
   64789  17221 1288   64821  16017 1242   64853  14831 1196   64886  15387 1219
   64918  15963 1242   64951  16066 1247   64983  15516 1226   65016  16230 1255
   65048  17904 1318   65081  17648 1310   65113  17692 1312   65146  17942 1322
   65178  16795 1279   65211  15313 1222   65244  15665 1237   65276  16042 1252
   65309  15779 1243   65342  16051 1254   65374  16597 1276   65407  17502 1311


-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick@dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk


Date: Mon, 04 Dec 2000 09:42:29 +0900
Subject: Re: RIET: ISIS GSAS ALT to column file converter?
From: "N. Dragoe" [tdragoe@m.ecc.u-tokyo.ac.jp]
To: rietveld_l@ill.fr

Hi Lachlan,

You can use Powder 2, it should work if you use <Ignore the first line> then
read all as XYZ ascii (then save as xyz, on each line).  Just make sure you
have the EOF character,

N

http://www.ccp14.ac.uk/ccp/web-mirrors/ndragoe/html/software.html

Convert for Windows


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