Re:Pharma samples: prep and data collection

2024-05-16 Thread iangie
Dear Matthew, I have done several QPA for pharmaceutical formulars for QUT Health. One example is: https://doi.org/10.1016/j.ijpharm.2020.119684 They were all measured using Debye-Scherrer geometry, becasue too much penetration/absorption error in Bragg-Brentano. Many APIs have particle si

Open Postdoc / Beamline Scientist position for Powder Diffraction and Total Scattering at Beamlines P02.1 / P25 at DESY

2024-05-16 Thread Etter, Martin
Dear Colleagues, it is my pleasure to announce that DESY in Hamburg (Germany) offers a Postdoc / Beamline Scientist position for Powder Diffraction and Total Scattering at the PETRA III synchrotron beamlines P02.1 and P25. Next to the beamline scientist duties, the main purpose of this position i

Re: Rietveld ESD calc fortran code typo?

2024-05-16 Thread Jonathan WRIGHT
Dear Matthew That fortran snippet was corrected in Appendix 1 of Andreev's paper here: https://doi.org/10.1107/S002188989300891X It is a shame that implicit none was not part of fortran 77. The google search resul leading me to that was: https://www.researchgate.net/publication/359342753_Pro

Re: Rietveld ESD calc fortran code typo?

2024-05-16 Thread Matthew Rowles
Thanks a lot for that Jonathon. The code is helping me understand the algorithm, in particular the implementation of the double sum. Currently in the process of reproducing it in python to get around my essentially complete lack of knowledge in fortran so I can properly understand it. On Thu, 16