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Commit 85149809 authored by Anjali Aggarwal's avatar Anjali Aggarwal
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xas dataset and schema update

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1 merge request!16Resolve "XAS catalysis"
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experimentID: EXP-001
sample:
sampleID: SAMPLE-001
material: Platinum on Alumina
preparationMethod: Impregnation
catalyst: Platinum (1 wt%)
reactionConditions:
temperature:
unit: degC
value: 300
pressure:
unit: atm
value: 1
gas: H2
description: A sample of platinum nanoparticles dispersed on gamma-alumina support.
dSpacing: 3.54 # in angstroms
crystalType: Cubic
instrument:
instrumentID: INSTR-001
name: Synchrotron Beamline Instrument
facility: DESY
beamline: P65
energyRange:
minEnergy:
value: 5000
unit: eV
maxEnergy:
value: 25000
unit: eV # in eV
technique:
techniqueType: EXAFS
edge: K-edge
detector: Fluorescence
monochromator: Si111
dataProcessing:
software: Athena
version: 0.9.26
method: Background subtraction and Fourier transform
metadata:
project: "Catalysis Study for Platinum-Based Catalysts"
experimenter: "Dr. John Doe"
startTime: "2024-08-01T09:00:00"
endTime: "2024-08-01T12:00:00"
datasetName: "P65 XAS"
description: "XAS dataset."
principalInvestigator: "Dr. Anjali"
owner: "Anjali"
contactEmail: "anjali@example.com"
sourceFolder: "/tmp"
size: 123456
creationLocation: "Hamburg"
creationTime: "2024-06-26T12:00:00Z"
type: "raw"
instrumentId: "Instrument001"
proposalId: "20010161"
dataFormat: "HDF5"
isPublished: False
ownerGroup: "hasylab"
accessGroups: ["FS-EC"]
keywords: ["XAS", "data", "keywords"]
license: "CC BY 4.0"
scientificMetadata:
experimentID: EXP-001
sample:
sampleID: SAMPLE-001
material: Platinum on Alumina
preparationMethod: Impregnation
catalyst: Platinum (1 wt%)
reactionConditions:
temperature:
unit: degC
value: 300
pressure:
unit: atm
value: 1
gas: H2
description: A sample of platinum nanoparticles dispersed on gamma-alumina support.
dSpacing: 3.54 # in angstroms
crystalType: Cubic
instrument:
instrumentID: INSTR-001
name: Synchrotron Beamline Instrument
facility: DESY
beamline: P65
energyRange:
minEnergy:
value: 5000
unit: eV
maxEnergy:
value: 25000
unit: eV # in eV
technique:
techniqueType: EXAFS
edge: K-edge
detector: Fluorescence
monochromator: Si111
dataProcessing:
software: Athena
version: 0.9.26
method: Background subtraction and Fourier transform
metadata:
project: "Catalysis Study for Platinum-Based Catalysts"
experimenter: "Dr. John Doe"
startTime: "2024-08-01T09:00:00"
endTime: "2024-08-01T12:00:00"
......@@ -116,6 +116,7 @@ classes:
description: The ID of the proposal to which the dataset belongs.
isPublished:
description: The ID of the proposal to which the dataset belongs.
range: bool
#~ sampleId:
#~ description: ID of the sample used when collecting the data.
instrumentId:
......@@ -125,6 +126,7 @@ classes:
accessGroups:
description: Defines the group which owns the data, and therefore has unrestricted access to this data. Usually a pgroup like p12151
# #~ instrumentGroup: {}
range: list
SciCatProposal:
......
......@@ -18,19 +18,23 @@ imports:
- base_scicat_dataset
- base_sample
- rockit
- technique_xas_catalysis
default_range: string
classes:
P65ScientificMetadata:
description: The metadata associated with P65
is_a: PetraScientificMetadata
mixins: [rockit_Container]
attributes:
# special_p65_parameter:
# description: something that only exists at P65
catalyst:
description: Name of the catalyst used for experiment
sample:
range: SolidStateSample
# mixins: [rockit_Container]
mixins: [CatalysisExperiment]
# attributes:
# # special_p65_parameter:
# # description: something that only exists at P65
# catalyst:
# description: Name of the catalyst used for experiment
# sample:
# range: SolidStateSample
P65Dataset:
tree_root: true
is_a: ScicatDataset
......
......@@ -10,6 +10,10 @@ imports:
- linkml:types
- base_types
- base_sample
# - base_scicat_dataset
# - base_catalogue_metadata
default_prefix: xas_catalysis
......@@ -20,6 +24,21 @@ types:
base: datetime
classes:
# P65ScientificMetadata:
# description: The metadata associated with P65
# is_a: PetraScientificMetadata
# mixins: [CatalysisExperiment]
# P65Dataset:
# tree_root: true
# is_a: ScicatDataset
# description: The metadata associated with P65
# attributes:
# scientificMetadata:
# range: P65ScientificMetadata
# required: true
CatalysisExperiment:
description: Information about the catalysis experiment using XAS at the DESY P65 beamline
attributes:
......
# linkml-validate -s ./schema/beamline_p08.yaml -C P08Dataset ./Dataset/p08_example_data.yaml
linkml-validate -s ../schema/technique_xas_catalysis.yaml -C CatalysisExperiment ../Dataset/p65_example_data.yaml
\ No newline at end of file
linkml-validate -s ../schema/beamline_p65.yaml -C P65Dataset ../Dataset/p65_example_data.yaml
\ No newline at end of file
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