catalight.analysis.run_initial_analysis.main
- catalight.analysis.run_initial_analysis.main(main_dirs, calDF, reactant, target_molecule, mole_bal='c', figsize=(6.5, 4.5), savedata=False, switch_to_hours=2, overwrite=False, basecorrect=True)
Run initial analysis.
Finds existing expt_log.txt files within the provided directories, creates expt objects, runs analysis.run_analysis and analysis.plot_expt_summary where appropriate based on input parameters.
- Parameters:
main_dirs (list of str) – Paths to main directories for running analysis. All expt_log.txt files within the main directory will be analyzed.
calDF (pandas.DataFrame) – Formatted DataFrame containing gc calibration data. Specific to control file used! Format [ChemID, slope, intercept, start, end]
new_x (list) – Array of new data to be used inplace of old x axis
units (str) – new units for new x axis data
reactant (str) – String identity of reactant molecule to track. Must match what exists in the calibration file exactly.
target_molecule (str) – String identity of the target to use when calculating selectivity. Must match what exists in the calibration file exactly.
mole_bal (str, optional) – Code will perform a mole balance for the element provided. The default is ‘c’. (i.e. carbon balance)
figsize (tuple, optional) – Desired size of output figure in inches (x,y), Default is (6.5, 4.5). figsize suggestions: 1/2 slide = (6.5, 4.5); 1/6 slide = (4.35, 3.25); 1/4 slide = (5, 3.65); Full slide = (9, 6.65);
savedata (bool, optional) – Indicates whether or not to save data. The default is ‘True’.
switch_to_hours (float, optional) – Time in hours when the output should switch units to hours instead of minutes. The default is 2.
overwrite (bool, optional) – True will rerun calculations for experiments containing avg_conc.csv files. False will only plot these. The default is False.
basecorrect (bool, optional) – True will perform baseline correction on GC data. The default is True.
- Return type:
None.