Update xps example file with new PBTTT.nxs that includs atom types and chemical_formula. (!101) · Merge requests · nomad-lab / nomad-remote-tools-hub

Updata xps/Dockerfile: replacing branch 'XPS_datamodel_V_new' by 'master'. XPS-reader is compatible with 'atom-types' and 'chemical_formula'.

Update xps example file with new PBTTT.nxs that includs atom types and chemical_formula.