Create ImgCIF metadata from raw data, or a DIALS .expt file.

Setup & usage (terminal)

1. If you don't already have the conda command, download and install Miniforge.
2. Install the package in a new environment:

conda create --yes -n imgcif-creator -c comcifs -c conda-forge imgcif_creator

3. Activate the environment:

conda activate imgcif-creator

Activating the environment is temporary: if you open another terminal, you'll need to run this step again.

Run

imgcif-creator path/to/some/data

You can run it on files or folders of data in CBF, HDF5, TIFF or SMV format. Alternatively, if you already have a DIALS .expt experiment file, you can use that as input.

Generating CBF files from Dials-recognised data

make-cbf path/to/data/directory

Web interface

https://imgcif.iucr.org/

To run a local copy of the web interface, e.g. for development:

1. Clone this repository.
2. Set up a conda environment

conda env create --file conda-env.yml

3. Activate the environment:

conda activate imgcif-creator

4. Launch the web interface:

streamlit run web/main.py

This will show a URL in the terminal to open in a browser. The web interface has an option to start by downloading files (up to 5 GB), or you can upload a DIALS .expt file.