Package: pdCIFplotter
A program for the visualisation of diffraction data in pdCIF format.Crystallographic Information Framework (CIF;https://www.iucr.org/resources/cif) files are a way of storing
crystallographic information in a standard human- and machine-readable format. This particular program is focussed
on visualising powder diffraction data stored in CIF format, and, in particular, serial or in situ/operando data.Free software: Apache Software License 2.0Pre-installationIf you are on Windows, you must read this step. If you are on Linux, you can continue.pdCIFplotterrequiresPyCifRW == 4.4.3. If you installPyCifRWfromPyPIviapip, then you will also need to compile the included C modules. To do so requiresMicrosoft Visual C++ 14.0 or greater. If you don’t have this installed, or do not wish to install it,precompiled wheel files are available. You must download the wheel file corresponding to your Python installation.To obtain information about your Python installation, run the command:python -VVAn example output isPython 3.9.4 (tags/v3.9.4:1f2e308, Apr  6 2021, 13:40:21) [MSC v.1928 64 bit (AMD64)], showing that this is 64 bit Python 3.9.Usingpipversion 19.2 or newer, install your downloaded wheel file as:pip install c:\path\to\file\name_of_file.whlThis should installPyCifRW, and you can move on to the next step. If you encounter any issues in the installation,
please lodge anissue.InstallationTo install the release version ofpdCIFplotterfrom PyPI:pip install pdCIFplotterYou can also install the in-development version from GitHub with:pip install https://github.com/rowlesmr/pdCIFplotter/archive/master.zipQuick usageTo run pdCIFplotter as a standalone program:pdcifplotterWhen you first openpdCIFplotter, you are met with an empty windowClicking “Load file”, and choosing a CIF file to open will automatically present you with a single plot. You can then alter how that plot is presented, or visualise all diffraction data in the CIF with theStackandSurfacetabs.Documentationhttps://pdCIFplotter.readthedocs.io/en/latest/Changelog0.1.3 (2022-09-18)Adding package to conda-forge0.1.2 (2022-07-14)Misc. bug fixes0.1.1 (2022-06-30)More features!Added the ability to alter font details on the plotsAdded the ability to alter relative plot widths on the surface plot when showing QPA/temperatures…0.1.0 (2022-03-14)Submitting final version of manuscript for publication - feature freeze!0.0.11 (2022-01-24)Created a program icon.Fixed bug in quantitative phase analysis parsing to enable reading of data-only CIFs.Correctly reads an empty file.0.0.10 (2021-12-31)Updated type hints to maintain compatibility with Python <=v3.8.0.0.9 (2021-12-31)Single plot - subtitle now shows the datetime, temperature, pressure, Rwp, and GoF, if available in the CIF file. Rwp and GoF is also calculated and displayed in brackets if possible. Gof calculation uses N, and not N-P, so it is only an approximation.Stack plot - Hovertext now shows the datetime, temperature, pressure, Rwp, and GoF, if available in the CIF file.Surface plot - Can now plot temperature, pressure, quantitative phase analysis (QPA), Rwp, and GoF (if available in the CIF file) next to the surface plot. QPA phases are linked together by their _pd_phase_name, so it is important that the same string is used to denote the same phases in different patterns.0.0.8 (2021-12-20)Updated some of the zoom behaviourCan now use arrow buttons to move between consecutive diffraction patterns in the single plot0.0.7 (2021-12-18)Zoom persists in single plots when changing between diffraction patterns or altering the view in some way.0.0.6 (2021-12-09)Can normalise intensities to counts from provided weights or errors; possible in single, stack, and surfacehkl ticks labelled by phase name, if present, else, phase id: now including surface plot.(ongoing) Refactoring of plot_cif0.0.5 (2021-11-16)Better hkl checkbox checkingDoesn’t crash if CIF with no diffraction pattern is loadedGracefully handles NANs in data when calculating hkl tick offsetsDatablock names replaced with block_id values on single plot title and dropdown data boxhkl ticks labelled by phase name, if present, else, phase id.Large refactoring of parse_cif0.0.4 (2021-11-11)Added hkl ticks to stack plotEnabled hkl ticks to be plotted above the diffraction patterns0.0.3 (2021-11-10)Separated GUI and plotting codeFixed crash on changing to surface tab before opening CIF0.0.2 (2021-11-07)Update install requirements - mplcursors 0.5 is now available, rather than installing from git.Can now launch from command line with just> pdcifplotter0.0.1 (2021-11-06)Update install requirements and provided prompting to user on installing packages not available on PyPi.0.0.0 (2021-11-05)First release on PyPI.