{ "cells": [ { "cell_type": "markdown", "id": "7ef63049-1506-4186-b153-05f180821ceb", "metadata": {}, "source": [ "# Figure and data processing for *Topical Review: Extracting Molecular Frame Photoionization Dynamics from Experimental Data* - MFPADs only\n", "18/07/22\n", "\n", "This document illustrates the use of [the Photoelectron Metrology Toolkit (PEMtk)](https://pemtk.readthedocs.io/en/latest/) 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](https://www.authorea.com/users/71114/articles/447808-topical-review-extracting-molecular-frame-photoionization-dynamics-from-experimental-data).\n", "\n", "Full data and code (current version) available via [Figshare, DOI: 10.6084/m9.figshare.20293782](https://dx.doi.org/10.6084/m9.figshare.20293782).\n", "\n", "For general info, see the [PEMtk analysis routines docs](https://pemtk.readthedocs.io/en/latest/fitting/PEMtk_fitting_multiproc_class_analysis_141121-tidy.html).\n", "\n", "Plotting backend via Plotly Surface plots, see https://plot.ly/python/3d-subplots" ] }, { "cell_type": "code", "execution_count": 1, "id": "9729bbbd-a8f8-4fe2-9640-48020ccf2c2b", "metadata": {}, "outputs": [], "source": [ "saveFigs = False" ] }, { "cell_type": "markdown", "id": "0efe2818-6835-4fdd-a34a-a9a88db16600", "metadata": {}, "source": [ "## Read data" ] }, { "cell_type": "code", "execution_count": 2, "id": "b101371a-bd22-406f-8e8b-ad90198e338f", "metadata": {}, "outputs": [ { "data": { "text/html": [ "
<xarray.Dataset>\n",
"Dimensions: (Cont: 2, Eke: 51, Targ: 1, Total: 2, Type: 2, mu: 3, l: 6, m: 3,\n",
" it: 1)\n",
"Coordinates:\n",
" * Cont (Cont) object 'PU' 'SU'\n",
" Ehv (Eke) float64 17.4 18.4 19.4 20.4 21.4 ... 63.4 64.4 65.4 66.4 67.4\n",
" * Eke (Eke) float64 0.1 1.1 2.1 3.1 4.1 5.1 ... 46.1 47.1 48.1 49.1 50.1\n",
" SF (Eke) complex128 (2.1560627+3.741674j) ... (4.4127053+1.8281945j)\n",
" * Targ (Targ) object 'SG'\n",
" * Total (Total) object 'PU' 'SU'\n",
" * Type (Type) object 'L' 'V'\n",
" * it (it) int64 1\n",
" * l (l) int64 1 3 5 7 9 11\n",
" * m (m) int64 -1 0 1\n",
" * mu (mu) int64 -1 0 1\n",
"Data variables:\n",
" comp (Eke, mu, l, m, Cont, Targ, Total) complex128 (nan+nanj) ... (na...\n",
" compC (Eke, mu, l, m, Cont, Targ, Total) complex128 (nan+nanj) ... (na...\n",
" orb5 (Eke, mu, it, Type, l, m, Cont, Targ, Total) complex128 (nan+nan...