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
[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).]
From: "L. Cranswick" [[email protected]]
Subject: RIET: ISIS GSAS ALT to column file converter?
To: [email protected] (Rietveld Mailing List)
Date: Sun, 3 Dec 2000 18:18:32 +0000 (GMT)
Reply-To: [email protected]
X-Loop: [email protected]
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: [email protected] Ext: 3703 Room C14
http://www.ccp14.ac.uk
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Date: Mon, 04 Dec 2000 09:42:29 +0900
Subject: Re: RIET: ISIS GSAS ALT to column file converter?
From: "N. Dragoe" [[email protected]]
To: [email protected]
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
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