On Thu, 23 Sep 1999 13:40:38 +0200, Armel Le Bail wrote: >J"org Bergmann wrote: >>More for information: BGMN calculates ESDs for bond lengths, bond angles, >>torsion angles, out-of-plane angles etc. on demand (see GOAL's). For >>laboratory X ray sources, it has a superiour peak shape function >>(raytraced plus tube-tails corrected fundamental parameters profiles). > >May I have a reference showing clearly that this superiority is >established, and preferably by an independent group ? Superiority >to what ? For doing what ? Sorry for the careless use of the term "superiour". As I know, hundreds of people have got the BGMN demo code from the web site. I have got some responding e-mail questions. So I feel, some of them use the demo. Until now, most of the licenced users are industrial (commercial) ones. Probably, they won't publish their results. By the way, I will give some remark to another topic: On Thu, 23 Sep 1999 14:20:50 +0100 (BST), Ed Cussen wrote: >With regards to the following; the problem isn't that our sample is >degrading the peak shape but rather that it isn't! We have an >exceptionally crystalline sample and it seems that the GSAS peak-shape >function only seems able to cope with the HRPD peak shape when convoluted >with sufficient sample broadening. We've used GSAS for HRPD data analysis >many times before with many different compounds/samples and not >experienced this problem. > At this time, we do some evaluation of very sharp Y2O3 line profile standard. As I feel, the problem mentioned above needs for a good geometry profile. And we try to solve that by our "raytraced plus tube tails corrected geometric part". In following, I give some text from an exemplary Y2O3 evaluation output: Fit to file(s) y2o3tfx1502.val BGMN version 2.5.6, 4601 measured points, 68 peaks, 54 parameters Tubetails were corrected within GEOMET Start: Fri Sep 10 16:25:42 1999; End: Fri Sep 10 16:26:29 1999 Rp=4.73% Rpb=8.16% R=3.35% Rwp=6.63% Rexp=5.72% Durbin-Watson d=1.67 1-rho=0.737% ... GrainSize(1,1,1)=464.9+-6.6 (size/nm) sqrt(k2)=0.0000785+-0.0000075 (r.m.s. micro strain) Peakshape is narrow: alpha12 separation starts at 28 deg. HWB of the alpha1 is 0.09 deg at that angle. Thank you four your attention! J"org Bergmann [EMAIL PROTECTED]
