Modifying an existing module

We recommend keeping the given structure in a module.

For adding new input files from data analysis softwares, i.e. a new tool to an existing benchmark module, you will need to:

• add a toml file for the tool parsing

• add a parameter parsing function for the tool

• extend the documentation of the module for instruction of the new tools

For adding new benchmarking metrics, you would need to add the new metrics to the datapoint.py file and the plot.py file for visualization. In that case have a look at the extended documentation of adding a new module, Adding a new module.

As an example for adding a new tool, see how quantms was added to the DDA quantification precursor ions module in PR #550.

Note

Note that changing the intermediate format and the data point structure might have an impact on the other modules. Therefore we recommend to define them stringently from the start - not changing them later on.