Standard XRD Datasets now on the Web for IUCr-CPD Quant Analysis Round Robin

Lachlan Cranswick l.cranswick at
Sun Jan 18 12:06:25 EST 1998

Hi All,

A hopefully correct summary:

  Registered participants are now being sent the samples they
  requested via airmail.  Depending on the kindness of the
  Australian Customs to let in the two Pharmaceutical samples 
  for inclusion, people who requested this will receive their
  packages later - hopefully - maybe(?).
  Standard Powder XRD Data Sets now available for analysis via
  the web (file with crystal structures also available on the 
  web site).


Just a quickish(?) word that the 
   IUCr CPD Round Robin on Quantitative Phase Analysis Webpage 
has been updated and is still at:

As some of the registered users may have already received the powder 
samples, it was mentioned that Standard data in different formats 
would be located at the web-site (only one XRD data format would
fit on the floppy disk sent with the samples).  

For people who did not request the Pharmaceutical samples; if 
you have not received your package yet, it could be the many 
vials of white powder are still be analysed by the sniffer dogs(?)

Many common formats are now catered for on the web site and (data 
converters willing - and able), more should be added soon (hopefully 
Siemens *.raw format at least).
Refer: Standard Powder X-ray Diffraction Data Sets - Data Analysis Kit


Please keep in touch if the web-site can be made better or clearer.
If you would like to see other XRD data formats, volunteers 
(or information on where data interconverters are located) would 
be appreciated.

The files are zipped up as well as in individual files.  If you would
like to see other archive formats (tar.Z ?), please contact me - and 
software willing, this can be done (in the fullness of time, etc :-)  )

For fans of the ASCII format (line feed, carriage return, etc), I am 
still rather confused about various PC ASCII formats that web-browsers
will happily view, though the ones uploaded should work with the various 
viewers and Rietveld software.  Attempts to sort this out will be 
made after required amount of caffeine and sugar have been consumed.


  Please note that you can still be a participant, even if you 
  don't have access to an XRD by analysing the standard 
  powder XRD data sets.  They are also usable as educational datasets
  for phase ID and quant analysis independent of the Round Robin.

  People who have not registered and would like to receive powder 
  samples for analysis, please look at the web page and
  determine which samples you would like to analyse.  The 
  Round Robin has been quite popular and some of the samples
  have already been exhausted.





Lachlan M. D. Cranswick
CCP14 for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603173  Room C14
E-mail: l.cranswick at

Personal Crystallographic WWW:
Commission on Powder Diffraction, Quantitative Phase Analysis Round Robin: 
Society of Crystallogaphers in Australia (SCA):
Australasian Web Publishers Association: (AWPA):
Australian X-ray Analytical Association (AXAA): 

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