Figure and data processing for Topical Review: Extracting Molecular Frame Photoionization Dynamics from Experimental Data

18/07/22

This document illustrates the use of the Photoelectron Metrology Toolkit (PEMtk) for analysis of matrix element fitting results, plus some additional plotting routines. Results and figures are as reported in the manuscript Topical Review: Extracting Molecular Frame Photoionization Dynamics from Experimental Data [1], available via Authorea.

Full data and code (current version) available via Figshare, DOI: 10.6084/m9.figshare.20293782.

For general info, see the PEMtk analysis routines docs.

v29/07/22: tidied up, fixed fig panel labels.

v26/07/22: updated plots now in place, just needs a tidy up.

v18/07/22: adapted from original processing notebooks 23/04/22, tidied up for distribution, plus some PEMtk updates incorporated.

For MFPAD surface plots see the notebook MFPAD_replotting_from_file_190722-dist.ipynb.

Setup

Load fit & analysis class and import data (currently a bit messy).

[1]:

saveTables = False
saveFigs = True  # Set to save figs to file
exportData = False # Save processed data to file

[2]:

# Import & set paths
import pemtk
from pemtk.fit.fitClass import pemtkFit

from pathlib import Path

# Path for demo script
demoPath = Path(pemtk.__file__).parent.parent/Path('demos','fitting')

# Load sample dataset
dataPath = demoPath

# Basic test data - simulated results with no noise, 100 fits
# dataFile = 'dataDump_100fitTests_10t_randPhase_130621.pickle'

# Noisey test data - simulated results with noise, 1000 fits
dataFile = 'dataDump_1000fitTests_multiFit_noise_051021.pickle'   # Full class Pickle
# dataFile = 'dataDump_130722_12-21-17.pdHDF'  # Pandas hdf version

# 13/07/22 - with updated IO routines
data = pemtkFit()
data.loadFitData(dataFile,dataPath)

*** ePSproc installation not found, setting for local copy.