AUSPEX

AUSPEX is a diagnostic tool for graphical X-Ray data analysis, it enables users to automatically detect ice-ring artefacts with HELCARAXE CNN network, beamstop outliers with NEMOs culstering strategy, or visualize other problems in integrated X-ray diffraction data.

Getting Started

These instructions will get you a copy of the project up and running on your local machine.

Prerequisites

The easiest approach to install AUSPEX is through conda environment.

Either install Anaconda or miniconda

Once installed, create a new virtual environment using the provided environment.yml

conda env create -f environment.yml

Activate the new environment with

conda activate auspex

Installing

Install Auspex through pip install from its Git repository.

pip install git+https://github.com/thorn-lab/AUSPEX.git

Usage

To use Auspex, use following console command:

auspex [path_to_data_file] [options]

To read the detailed help message:

auspex -h

Tests

auspex test/4puc.mtz
auspex test/8g0s.mtz --beamstop_outlier
auspex test/5usx.mtz --nemo-removal --generate-xds-filter test/5usx_INTEGRATE.HKL

Documentation

You can generate the documentation with sphinx

cd docs
make html
your_favorite_browser build/auspex.html

WEBSPEX

Hate to build? Visit our webservice WEBSPEX