At 11:54 22/02/2007, Alan Hewat wrote: >I would like to see a profile plotting package in Java or some other really >portable language that would read in CIF files and plot calculated-observed >patterns like Jmol now plots structures.
At 21:40 22/02/2007, Luca Lutterotti wrote: >But with a little work a java applet can be put again to work >especially with the specific purpose of plotting CIF datafiles. First of all, why Java and not a browser helper based on a portable GUI language ? Because Java will work in most browsers on most platforms without the need for any user installation - completely automatic . I did a little test Saturday on a generic public access PC in a supermarket, and was able to display Jmol (Java) 3D crystal structures without installing anything manually. So what are the specs for a Java profile plotter ? 1) As simple as possible, with the GUI customised externally using Javascript, except that the mouse would be used for zooming, measuring etc... (cf Jmol). 2) Capable of plotting an experimental profile from powderCIF http://www.iucr.org/iucr-top/cif/pd/ 3) Capable of plotting a profile from (h,k,l,d-spacing,intensity) again from a powderCIF file. It should be possible to click on structures in a list and have an instant plot of the powder patterns. 4) Capable of calculating a profile using the crystal structure coordinates from a standard CIF file. 5) Capable of generating an Adobe PDF or postscript file for printing and archiving. In fact the profile calculations need not be done in Java, so it may be possible to simply take some standard Java plotting package, add some external code, to feed it the appropriate profile data, and some controls to adjust the parameters (wavelength, U,V,W etc - and of course the plot scale, even for Q-space :-) ) Alan. _____________________________________________________________ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/ _____________________________________________________________
