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Fix errors in LinkML schema regarding slot naming and wrong use of ex…
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…ample meta-slot
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StroemPhi committed May 29, 2024
1 parent 9c13c0d commit 7fe4f41
Showing 1 changed file with 22 additions and 18 deletions.
40 changes: 22 additions & 18 deletions src/nfdi4chem_michi/schema/nfdi4chem_michi.yaml
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
---
id: https://w3id.org/StroemPhi/NFDI4Chem_MIChI
id: https://w3id.org/NFDI4Chem/MIChI
name: NFDI4Chem_MIChI
title: NFDI4Chem_MIChI
title: NFDI4Chem MIChI
description: |-
This is the LinkML metadata schema prototype for NFDI4Chem
license: MIT
Expand All @@ -16,6 +16,7 @@ prefixes:
PATO: http://purl.obolibrary.org/obo/PATO_
OBI: http://purl.obolibrary.org/obo/OBI_
CHEBI: http://purl.obolibrary.org/obo/CHEBI_
BFO: http://purl.obolibrary.org/obo/BFO_
example: https://example.org/
default_prefix: michi
default_range: string
Expand Down Expand Up @@ -75,10 +76,10 @@ classes:
is_a: NamedThing
description: The material entity that is being evaluated to assay its attributes/characteristic.
slots:
- output of sampling process # rang: sampling process - which is the process that determines where it came from
- has characteristic # range: characteristic - the quality being determined by an analysis/assay
- output_of_sampling_process # rang: sampling process - which is the process that determines where it came from
- has_characteristic # range: characteristic - the quality being determined by an analysis/assay
todos:
- Review with regard to the ISA model and the controlled/independent & dependent variable part
- "Review with regard to the ISA model and the controlled/independent & dependent variable part"

# chemical entities
MaterialEntity:
Expand All @@ -97,8 +98,8 @@ classes:
- "This is actually mapped to CHEBI:molecular entity (CHEBI:23367), from which we just copied the definition
into our description. We did so to be able to reuse the label Chemical Entity. We do not use (ignore) the
chemical entity class from CHEBI as this is only a grouping class, and chemical entity is rather that which constitutes a chemical substance"
- There was the issue with theoretical chemist postulating chemical entities that are not physical existing -->
write/ask in the OBO or BFO discuss list ?
- "There was the issue with theoretical chemist postulating chemical entities that are not physical existing -->
write/ask in the OBO or BFO discuss list?"

ChemicalSubstance:
is_a: MaterialEntity
Expand All @@ -110,21 +111,17 @@ classes:
- space_group
- iupac_name
examples:
- a polymer
- a mixture of ethanol and methanol
- O2 Ti

comments:
- "CHEBI definition: A chemical substance is a portion of matter of constant composition, composed of molecular
entities of the same type or of different types."
- "Examples: a polymer, a mixture of ethanol and methanol, O2 Ti"
todos:
- we need to describe ratios of chemical entities in a chemical substance



# devices
Device:
is_a: NamedThing
class_uri:
description: A used within an analysis with a specific function
slots:
- has_part # another device
Expand All @@ -145,7 +142,7 @@ classes:

PlannedProcess:
class_uri: OBI:0000011
description: A process that is executed according to some plan or protocoll
description: A process that is executed according to some plan or protocol
slots:
- has_input
- has_output
Expand All @@ -161,17 +158,17 @@ classes:
- has_device # range: device used to evaluate the sample
- produces_dataset # range: Dataset - the information produced about the sample
- has_type # range: measurement technique - some class from some ontology
examples:
- a certain Raman spectroscopy performed to determine the Raman shift of some sample
comments:
- "Examples: a certain Raman spectroscopy performed to determine the Raman shift of some sample"

ChemicalAnalysis:
is_a: PlannedProcess
description: An interpretation of the data output of a ChemicalAssay
slots:
- has_status # range: StatusEnum - planned, in progress, done/finished, confirmed, unconfirmed
- based_on_assay_output # range: Data - the information produced by some ChemicalAssay
examples:
- an assignemt of chemical structures to certain peaks in a spectrum
comments:
- "Examples: an assignment of chemical structures to certain peaks in a spectrum"
todos:
- think about or the other possible slots for different kinds of chemical analyses

Expand Down Expand Up @@ -202,9 +199,14 @@ slots:
produces_dataset:
is_a: has_output
has_quantitative_value:
output_of_analysis:
has_status:
based_on_assay_output:
has_type:
designates_type: true
description: A property to provide the specific type of the class it is used on.
todos:
- Reread the LinkML docs to find out how to implement this properly
has_part:
has_vendor:
has_serial_number:
Expand All @@ -216,6 +218,8 @@ slots:
composed_of_chemical_entity:
space_group:
iupac_name:
output_of_sampling_process:
has_characteristic:

enums:
PersonStatus:
Expand Down

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