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Outlier Removal in Cryo-EM via Radial Profiles

This repository contains an implementation of outlier removal in cryo-electron microscopy (cryo-EM) datasets using radial profiles. The method focuses on removing outliers to enhance the quality of the 2D class averages and downstream analysis.

Setup

  1. Create a Virtual environment:

    To set up the required dependencies, create a Virtual environment with python=3.8 using the provided requirements.txt file:

    python3.8 -m venv .venv
    source .venv/bin/activate
    pip install -r requirements.txt
    
  2. Synthetic Data Experiments:

    To reproduce the synthetic data experiments, run the following script:

    python run_synthetic_experiment.py --use_pure_noise --use_part_particles --use_multi_particles
    
  3. Real Data Experiments:

    To reproduce the experiments on real cryo-EM datasets, execute:

       python run_real_data_experiment.py --dataset_name "10028" --extraction_size 360 --outlier_removal
    

Requirements:

To run the real data experiments, ensure you have a directory with the following structure:

Dataset Directory:

  • The directory name should match the dataset name.
    • Contains .mrc files (micrographs).
    • Contains particle picks generated by Relion.
    • Contains CTF (Contrast Transfer Function) corrections for each micrograph.

Example: An example of the required file structure and data is provided in the 10028 dataset directory.

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