mspypeline 0.4

Package to analyze Mass Spec Data

README

This pipeline can be used to analyze the results of a MaxQuant analysis.

Requirements

It is recommended to use this pipeline with git and anaconda, which need to be installed if they aren't already. Proxies need to be set for these tools if they are set up (like in the DKFZ). The repository can be downloaded for example via git clone https://github.com/siheming/mspypeline.git or other ways.

Usage

This pipeline can be used via the command line and needs a python installation with certain packages. A virtual environment is recommended with all packages specified in the environment.yml file. This can be done for example via:

conda env create python=3.7 -f environment.yml

which can then be activated and deactivated via:

conda activate mspypeline # activation
conda deactivate  # deactivation

When the environment is activated or the default python installation satisfies the requirements the script can be used via:

python3 main.py

or

python main.py

If the script is started with no further arguments the first prompt will ask for the directory, the second promp for the yml config file. If the second prompt is cancelled the default yml file is used To see help for the command line support type:

python3 main.py --help

The arguments that can be specified when using the pipeline are:

• --dir the path to the directory that should be analyzed. When this is not specified a window will open and ask to select a directory
• --yml-file the path to a yml file which should be used for analysis. If the directory contains a config dir with a yml file it will be used for analysis. Otherwise the user will be asked to select a yml file. When this is skipped the default yml file will be used instead. Using the default yml file can also be forced via --yml-file default
• --loglevel Logging level used during run. Should be from options (lowest to highest): DEBUG < INFO < WARNING < ERROR.
• --has-replicates do the names of the experiments in the result files include technical replicates. Default is false.

Dependencies

The pipeline required multiple input files to perform the analysis. They should be stored in a config dir on the same level as the pipeline script. The requirements are:

• ms_analysis_default.yml a file which contains all defaults for the analysis pipeline.
• go_terms a directory containing (GO-term) txt files for proteins with which should be analyzed. This influences the enrichment analysis of the GO-term plot.
• pathways a directory containing (pathway) txt files for proteins with which should be analyzed. This setting impacts descriptive plots and score calculations.

Support

If additional support is required try googleing, asking a programmer or contact me via [e-mail].