mocca.campaign package

Submodules

mocca.campaign.experiment_funcs module

Created on Tue Jan 25 09:11:54 2022

@author: haascp

mocca.campaign.experiment_funcs.get_sorted_compound_experiments(experiments)

Filters experiments for experiments with given compound. Sorts these experiments in the order: 1. solvent runs, 2. istd runs, 3. compound runs (sorted reversely by the compound concentration). In these categories, experiments are sorted in the order the user has given.

mocca.campaign.experiment_funcs.get_unprocessed_experiments(experiments, quali_comp_db=None)

Returns all experiments which have not been processed yet. Checks for internal standard condition, ie, that any given istd given in unprocessed peaks is already in the qualitative component db so that a corresponding peak can be found in the chromatogram.

mocca.campaign.process_funcs module

Created on Wed Dec 22 10:43:13 2021

@author: haascp

mocca.campaign.process_funcs.preprocess_experiment(exp, quali_comp_db, settings)

Returns a chromatogram object created out of the given experiment. The peaks in the chromatogram already have assigned possible matches but they are not yet assigned or quantified.

mocca.campaign.process_funcs.process_compound_exp(exp, quali_comp_db, settings)

Processes one compound experiment.

mocca.campaign.process_funcs.process_compound_experiments(experiments, peak_db, quali_comp_db, quant_comp_db, settings)

Sorts and processes all compound experiments (experiments from which the program learns). Updates both qualitative and quantitative component databases.

mocca.campaign.process_funcs.process_experiments(experiments, peak_db, quali_comp_db, quant_comp_db, settings)

Processes all unprocessed experiments (not compound experiments) which should be analyzed by the program.

mocca.campaign.process_funcs.process_gradients(experiments, settings)

Reads and processes gradient data for each experiment. Avoids double processing.

mocca.campaign.utils module

Created on Mon Dec 13 15:47:14 2021

@author: haascp

mocca.campaign.utils.check_istd(exp, chrom)

Checks internal standard condition, ie, if the user gives an istd information in the experiment, a corresponding peak has to be found in the chromatogram.

Module contents