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naikymen / PED

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JSON Output #7

Open naikymen opened 6 years ago

naikymen commented 6 years ago

We should define what metadata output the script generates and dump it in JSON format.

This python library may help: https://docs.python.org/2/library/json.html

So far the (non-plot) output consists of:

  1. List of Dmax and Rg values for each model (in TSV format).
  2. One list per ensemble, indicating the models with max, min and mean Rg values of the corresponding ensemble.
  3. The output of autorg (a two line CSV file, including header).

This list is illustrative. There are also versions of these files split by ensemble (i.e. for output 1).

In the case of SAXS processing, the datgnom utility outputs a table with the points of the fit. In this case, I believe this would be better in CSV.

naikymen commented 6 years ago

Will be implemented in the new python pipeline script.