diff --git a/examples/data/xps/Au_25_mbar_O2_no_align.nxs b/examples/data/xps/Au_25_mbar_O2_no_align.nxs index e52b1acb1e189fe4d6da3e49d12694cbb3a341e7..8d38d15490d46c4747db103d7dddc9f8727461a7 100644 Binary files a/examples/data/xps/Au_25_mbar_O2_no_align.nxs and b/examples/data/xps/Au_25_mbar_O2_no_align.nxs differ diff --git a/examples/data/xps/Specs_conversion.archive.json b/examples/data/xps/Specs_conversion.archive.json new file mode 100644 index 0000000000000000000000000000000000000000..834c8b6267004a069b1161f2fc0d312d146a2b1e --- /dev/null +++ b/examples/data/xps/Specs_conversion.archive.json @@ -0,0 +1,186 @@ +{ + "data":{ + "m_def":"../upload/raw/xps.scheme.archive.yaml#/definitions/section_definitions/0", + "reader":"xps", + "nxdl":"NXmpes.nxdl", + "input_files":[ + "EX439_S718_Au.sle", + "eln_data.yaml" + ], + "definition":"NXmpes", + "definition/@version":"1.0", + "title":"XPS Experiment", + "start_time":"2022-04-08T09:47:00.000Z", + "end_time":"2022-04-08T10:32:00.000Z", + "entry_identifier":"EX439", + "experiment_institution":"Max Planck Institute for Chemical Energy Conversion", + "experiment_facility":"Surface and Interface Analysis Group", + "experiment_laboratory":"Near-Ambient Pressure XPS Lab", + "user":{ + "name":"Lukas Pielsticker", + "affiliation":"MPI CEC" + }, + "instrument":{ + "device_information":{ + "vendor":"SPECS GmbH", + "model":"XPS setup" + }, + "energy_resolution":{ + "type":"calibrated", + "resolution":0.2, + "physical_quantity":"energy" + }, + "source_probe":{ + "type":"Fixed Tube X-ray", + "probe":"photon", + "device_information":{ + "vendor":"SPECS GmbH", + "model":"µFOCUS 500", + "identifier":"null" + }, + "beam_probe":{ + "distance":0.0, + "distance/@units":"mm" + }, + "analyser":{ + "description":"hemispherical", + "device_information":{ + "vendor":"SPECS GmbH", + "model":"PHOIBOS 150 NAP" + }, + "collectioncolumn":{ + "scheme":"angular dispersive", + "device_information":{ + "vendor":"SPECS GmbH", + "model":"PHOIBOS 150 NAP" + } + }, + "energydispersion":{ + "scheme":"hemispherical", + "diameter":{ + "unit":"mm", + "value":"150" + }, + "device_information":{ + "vendor":"SPECS GmbH", + "model":"PHOIBOS 150 NAP", + "identifier":"null" + } + }, + "detector":{ + "amplifier_type":"channeltron", + "detector_type":"Multi-anode", + "device_information":{ + "vendor":"Surface Concept GmbH", + "model":"1D-DLD detector" + } + } + }, + "manipulator":{ + "description":"hemispherical", + "device_information":{ + "vendor":"SPECS GmbH", + "model":"5-axis manipulator" + }, + "temperature_sensor":{ + "name":"type K thermocouple", + "measurement":"temperature", + "attached_to":"sample", + "type":"type K thermocouple", + "value":{ + "unit":"K", + "value":298.0 + } + }, + "sample_heater":{ + "name":"Coherent Compact Evolution IR Diode LASER (DILAS)", + "physical_quantity":"temperature", + "type":"IR diode laser", + "heater_power":{ + "unit":"W", + "value":0.0 + }, + "pid":{ + "setpoint":{ + "unit":"K", + "value":298.0 + } + } + }, + "drain_current_amperemeter":{ + "name":"Amperemeter 1.0", + "measurement":"current", + "type":"wire", + "heater_power":{ + "unit":"nA", + "value":0.1 + } + }, + "sample_bias_voltmeter":{ + "name":"XPS sample voltmeter", + "measurement":"voltage", + "attached_to":"sample", + "type":"oscilloscope", + "heater_power":{ + "unit":"V", + "value":0.0 + } + }, + "sample_bias_potentiostat":{ + "name":"XPS sample potentiostat", + "physical_quantity":"voltage", + "type":"potentiostat", + "pid":{ + "setpoint":{ + "unit":"V", + "value":0.0 + } + } + } + }, + "pressure_gauge":{ + "name":"Atmion", + "measurement":"pressure", + "type":"hot-filament ionization gauge", + "value":{ + "unit":"mbar", + "value":1e-9 + } + }, + "flood_gun":{ + "name":"FG 22/35", + "physical_quantity":"current", + "type":"hot-filament ionization gauge", + "current":{ + "unit":"A", + "value":0.0 + } + } + }, + "sample":{ + "name":"Polycristalline Au foil", + "sample_id":"S718", + "atom_types":"Au", + "physical_form":"foil", + "situation":"vacuum", + "substance":{ + "name":"Au", + "molecular_mass":{ + "value":196.96657, + "unit":"g/mol" + }, + "cas_number":"7440-57-5", + "molecular_formula_hill":"Au" + }, + "sample_history":{ + "sample_preparation":{ + "start_time":"2022-04-08T11:25:00.200Z", + "end_time":"2022-04-08T11:45:00.200Z", + "description":"sputter cleaned with Ar ions for 20 min", + "method":"Ar sputtering" + } + } + } + } + } +} \ No newline at end of file diff --git a/examples/data/xps/params.yaml b/examples/data/xps/params.yaml deleted file mode 100644 index 9eeb99d166c46bc6ad0e5c4439264cf6f612270a..0000000000000000000000000000000000000000 --- a/examples/data/xps/params.yaml +++ /dev/null @@ -1,8 +0,0 @@ -dataconverter: - reader: xps - nxdl: NXmpes - input-file: - - EX439_S718_Au.sle - - eln_data.yaml - remove_align: True - output: Au_25_mbar_O2_no_align.nxs \ No newline at end of file diff --git a/examples/data/xps/xps.scheme.archive.yaml b/examples/data/xps/xps.scheme.archive.yaml index 73e29ab3342af709205f593ca25204165630abe3..e2f474d13ddad1dec39ce998699f3497c960402e 100644 --- a/examples/data/xps/xps.scheme.archive.yaml +++ b/examples/data/xps/xps.scheme.archive.yaml @@ -1,5 +1,5 @@ definitions: - name: XPS ELN Example + name: XPS data schema sections: XPS: base_sections: