About

Python library for handling XrdPatterns including support for importing from data files, exporting as json file, visualization and postprocessing. The data file import functionalities are largely built on the C++ library xylib so beyond a standard python install this library also requires:

• A C++ compiler and standard library
• A C++ to python bridge (Swig)

Setup

System level requirements

For Ubuntu 22.04:

sudo apt install build-essential	# GNU C++ compiler
sudo apt install libboost-all-dev       # C++ libraries provided by Boost
sudo apt install swig 			# python -> C++ bridge

For Windows >10 you may try the following in PowerShell (requires Chocolatey):

choco install mingw  # C++ compiler and std library
choco install swig   # python -> C++ bridge

Python library

Once the system level requirements are installed, the library can be installed using pip:

pip install xrdpattern

Supported formats

Loading Diffractogram patterns from the following data formats is supported:

• Siemens/Bruker RAW ver. 1/2/3/4 (.raw)
• Stoe RAW (.raw) (! In progress)
• Comma seperated values (.csv) (! In progress)
• Plain text tab seperated values (.txt) (! In progress)
• Crystallographic Information File for Powder Diffraction (.cif)
• Siemens/Bruker UXD (.uxd)
• Philips UDF (.udf)
• Freiberg Instruments XSYG (.xysg)
• Philips RD ver. 3/5 (.rd)
• PANalytical XRDML (.xrdml)
• Rigaku DAT (.dat)
• Sietronics Sieray CPI (.cpi)
• XFIT/Koalariet XDD (.xdd)
• RIET7 DAT (.dat)
• DBWS/DMPLOT data file (.dbw, .rit, .neu)
• Canberra CNF (.cnf)
• Canberra AccuSpec MCA (.mca)
• χPLOT CHI (.chi)
• Bruker SPC (.spc)
• XrdPattern json (.json)