Freely Available Software (for academic use)
Note: there are tutorials on doing HKL to Powder conversion using freely available software for students and academics:
cad2pwd - Paul Boyle - X-ray Structural Facility, North Carolina State University, USA
- Contact: boyle@laue.chem.ncsu.edu
- Cad2pwd will convert CAD4 HKL data into a Pseudo-powder pattern
- cad2pwd at
ftp://ftp.xray.ncsu.edu/X-ray/cad2pwd/
- CCP14 Web Mirror |
CCP14 FTP Mirror
cad2pwd is a command line program which converts a CAD4 intensity data
file to a pseudo powder pattern, and is released under the GNU Public
Liscense. Under default invocation the program outputs to stdout a two
column output consisting of 2theta and the net intensity. The 2theta
values printed out are based on the weighted average alpha wavelength
for the radiation used to collect the CAD4 data. The program has several
command line options to modify this behavior.
Options:
-v verbose output, the program also prints out the hkl values
along with the 2theta and net intensity values.
-l <wavelength> use the value specified <wavelength> to calculate
the 2theta values for the pseudo powder pattern. This is useful
when the single crystal data was collected with MoKa and the powder
data was collected with CuKa (or synchrotron radiation).
-o <output_file_name> Write pseudopowder pattern to the specified file.
Default behavior is to write output to standard out (stdout).
HKL2Powder within Platon - (convert Shelx HKL files) Ton Spek, Bijvoet Center - Utrecht University
Powutil on the Ortex for MS-Windows website (convert Shelx HKL files) - P. McArdle