Clemens Prescher

Hi there, I am really interested in MD with deep-learning potentials. Through your publications, I have recognized the TensorMol package. However, after browsing through the code examples and notebook, it...

Possibility to separate pyFAI core capabilities from GUI?

5

Hi, is it somehow possible to separate pyFAIs library capabilities from its GUI features? It is not useful having to install matplotlib, qt etc. when only the numerical code is...

Hi, currently, PyCifRW installation from pip requires either build tools installed or being on windows and python 3.11 Is it possible, to either losen the restrictions - as far as...

0.6.0 MacOS executable fails

1

Starting the 0.6.0 MacOS X executable results in a segmentation fault with the following error report: ------------------------------------- Translated Report (Full Report Below) ------------------------------------- Process: run_dioptas [6965] Path: /private/var/folders/*/Dioptas_0.6.0-post.3+4ff48a55.app/Contents/MacOS/run_dioptas Identifier: Dioptas_0.6.0-post.3+4ff48a55...

Implementing log scale display for images and integrated patterns

2

Zhidan Zheng was suggesting to implement log scale for integrated patterns and images --> which apprently is the default mode with for SAXS data --> need to figure out, how...

Saving integrated data in the batch view is currently not unit agnostic and saves everything in 2 theta

When recovering the previous state of Dioptas upon start the background inspect button is not shown in case the background subtraction is enabled

Feature request for log and square root pattern y-axis

1

During the pyFAI meeting there has been a request for having toggles for normal, log and square root intensity in the pattern view Maybe even for the image?

Currently only the normal 1d integration works correctly when supersampling enabled

Request for angle based masking

2

A user asked for a masking method, where a mask is created based on a cutoff 2-theta, q or d-spacing.