Basis set exploration

15/06/21

Version with packaged setup routines.

05/06/21

Basis set section from dev code for docs.

03/06/21

Tidy version for docs, derived from http://127.0.0.1:8888/lab/tree/dev/PEMtk/fitting/fitting_routines_class-demo_v1_110521-tidy-StimpyTest_020621.ipynb

11/05/21

First version of class test/demo.

See dev notebook for background.

Outline of this notebook:

Repeat basic notebook for setup:
- Load required packages.
- Setup pemtkFit object.
  - Set various parameters, either from existing data or new values.
  - Data is handled as a set of dictionaries within the class, self.data[key][dataType], where key is an arbitrary label for, e.g. a specific experiment, calculation etc, and dataType contains a set of values, parameters etc. (Should become clear below!)
  - Methods operate on all self.data items in general, with some special cases: self.data['subset'] contains data to be used in fitting.
- Simulate data
  - Use ePSproc to simulated aligned-frame measurements.

(Note the above is all identical to the basic fitting demo notebook… but instead of fitting, we’ll explore the basis functions.) - Explore basis functions.

Prerequisities

Working installation of ePSproc + PEMtk (or local copies of the Git repos, which can be pointed at for setup below).
Test/demo data, from ePSproc Github repo.

Setup

Use setup_fit_demo.py script to load data and setup fitting environment. This is a script that runs through the setup routines shown in the basic demo doc.

(Full path may need to be set to the setup file, under demos/fitting.)

[1]:

# Load demo fitting workspace

# Run defaults - may need to set full path here
%run 'setup_fit_demo.py'

*** Setting up demo fitting workspace and main `data` class object...
For more details see https://pemtk.readthedocs.io/en/latest/fitting/PEMtk_fitting_basic_demo_030621-full.html


* Loading packages...

* Importing local packages from root D:\code\github. Pass search path to the script if this fails.