PeakQuest is a combination of the CMPR/LOGIC Software by Brian Toby
(ANL) and powder diffraction data from the CDS (> 133,000 patterns).
This allows display, manual and auto-indexing, peak fitting and
peak searching involving the pattern database.
Note that you need X-Windows display on your computer to use
Mac and Linux machines normally have this by default.
If you have a Windows PC you may have to install additional "X-Server"
is one such X-Server emulator and is available free of charge.
For further information on Xming and other terminal emulators such as
Exceed see our
To logon to the CDS server (cds.dl.ac.uk) you have to use the
Secure Shell (SSH) protocol.
for information on how to set things up for CDS applications.
To access all webpages referred to on this page and other links use the
Start PeakQuest by logging into the CDS server with your CDS username
then type pq.
At PeakQuest start up a help window will appear. This gives important
information on how to get going
Help on all options is available using the "HELP" command on the top
right of the main menu or see the CMPR and LOGIC
on Brian Toby's webpages.
Please include the following citations in any publications:
The auto-indexing programs, if you use them:
- Toby, B. H. "CMPR - a powder diffraction toolkit," Journal of Applied Crystallography 38, 1040-1041 (2005)
- "The United Kingdom Chemical Database Service", Fletcher, D.A., McMeeking, R.F., Parkin, D., J. Chem. Inf. Comput. Sci. 1996, 36, 746-749
- ITO: Visser, J.W., J. Appl. Cryst. 2,89 (1969).,
- DICVOL06: Boultif, A. and Louer D., J. Appl. Cryst. 24, 987-993 (2004);
- DICVOL91: Boultif, A. and Louer D., J. Appl. Cryst. 24, 987-993 (1991).
- N-TREOR: Werner, P.-E.; Eriksson, L. and Westdahl, M., J. Appl. Cryst. 18, 367-370 (1985).