Code

CasaXPS data analysis results parsing#99

Code

Merged

lukaspie merged 23 commits intomainFAIRmat-NFDI/pynxtools-xps:mainfrom 21-xps-data-analysis-results-parsing-through-config-fileFAIRmat-NFDI/pynxtools-xps:21-xps-data-analysis-results-parsing-through-config-fileCopy head branch name to clipboardFeb 3, 2025

+11,011-4,796

Commits

Commits on Jan 29, 2025

• remove intermediate mapping from vms reader

  lukaspie

  committed
  3cf981a

  Copy full SHA for 3cf981a

• calculate lineshape of vms components

  lukaspie

  committed
  4add1eb

  Copy full SHA for 4add1eb

• mypy fix

  lukaspie

  committed
  71f1236

  Copy full SHA for 71f1236

• parse data analysis in Casa from main file and export files

  lukaspie

  committed
  340f763

  Copy full SHA for 340f763

• update tests for vms comments

  lukaspie

  committed
  1bdfa31

  Copy full SHA for 1bdfa31

• add test case for vms data analysis

  lukaspie

  committed
  0447e27

  Copy full SHA for 0447e27

Commits on Feb 3, 2025

• small changes to the vamas data parsing

  lukaspie

  committed
  7de621c

  Copy full SHA for 7de621c

• make scripts executable

  lukaspie

  committed
  d63ddf5

  Copy full SHA for d63ddf5

• bring in peak/background intensities for default view

  lukaspie

  committed
  55b7682

  Copy full SHA for 55b7682

• make NXfit default view if it exists

  lukaspie

  committed
  d8e1db3

  Copy full SHA for d8e1db3

• regenerate ref data anaylsis nxs file

  lukaspie

  committed
  53a6308

  Copy full SHA for 53a6308

• mypy fixes

  lukaspie

  committed
  b24d8a2

  Copy full SHA for b24d8a2

• regenerate nxs files, skip units with no parents

  lukaspie

  committed
  672760b

  Copy full SHA for 672760b

• shuffle around examples, add docs

  lukaspie

  committed
  c278972

  Copy full SHA for c278972

• update example regeneration script

  lukaspie

  committed
  d66d250

  Copy full SHA for d66d250

• use typing for python 3.8

  lukaspie

  committed
  7956705

  Copy full SHA for 7956705

• small code review

  lukaspie

  committed
  a86e4a1

  Copy full SHA for a86e4a1

• more elaborate default settings

  lukaspie

  committed
  b34c66f

  Copy full SHA for b34c66f

• small code optimizations

  lukaspie

  committed
  7856cd5

  Copy full SHA for 7856cd5

• escape brackets in entry names to find components

  lukaspie

  committed
  97d129e

  Copy full SHA for 97d129e

• small bug fix for writing default for NXfit instances

  lukaspie

  committed
  abcf6b6

  Copy full SHA for abcf6b6

• fixes for python 3.8

  lukaspie

  committed
  5b5a9fb

  Copy full SHA for 5b5a9fb

• fixes for python 3.8

  lukaspie

  committed
  225a340

  Copy full SHA for 225a340