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Remove duplicate slots introduced by the upstream merge, regenerate artifacts
Rebasing onto upstream/main surfaced additional duplication beyond the
already-resolved coremeta4cat_reaction_ap.yaml conflict: PR #118 also added
has_cathode/has_anode/has_cell_operating_mode/has_active_area/
has_faradaic_current and several catalyst-bed/stirrer geometry slots to
coremeta4cat_common.yaml that duplicate slots already defined locally in
coremeta4cat_reaction_ap.yaml (same concepts, same VOC4CAT terms in most
cases, different slot names), plus has_conversion/has_space_time_yield/
has_selectivity referencing #118's Conversion/SpaceTimeYield/Selectivity
classes -- which aren't included in this PR (see the PR description's note
on keeping those for separate discussion). Removes the now-orphaned
duplicates so the schema resolves cleanly, and regenerates all derived
artifacts against the final merged state.
Copy file name to clipboardExpand all lines: src/coremeta4cat/schema/coremeta4cat_common.yaml
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@@ -355,28 +355,6 @@ slots:
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range: MassToChargeRatio
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description: Mass-to-charge ratio in mass spectrometric measurements.
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has_conversion:
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is_a: has_quantitative_attribute
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slot_uri: SIO:000008
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range: Conversion
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description: |-
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A dimensionless physical quantity describing the fraction of a reactant that reacts in a chemical conversion. If a reactant is consumed completely its conversion is 1 (or 100 %).
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has_space_time_yield:
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is_a: has_quantitative_attribute
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slot_uri: SIO:000008
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range: SpaceTimeYield
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description: |-
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A physical quantity that describes the amount of product produced per unit of time and unit of producing entity. The producing entity is for example the volume of a chemical reactor or in catalysis the mass or volume or moles of catalyst. Example unit: kg{product} / (hour * cubicmeter{catalyst})
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has_selectivity:
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is_a: has_quantitative_attribute
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slot_uri: SIO:000008
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range: Selectivity
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description: |-
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A dimensionless physical quantity describing how effective a reactant is converted to the desired product in a chemical conversion. It is calculated as the ratio between the amount of the desired product and the amount of the desired product that could have been formed if all reactants were converted to the desired product. The selectivity is 1 (or 100 %) if no other than the desired product is formed.
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multivalued: true
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# ---- Contextualized sub-slots for drying step ----
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# Used in DryingMixin where both temperature and duration appear together.
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@@ -460,87 +438,6 @@ slots:
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range: Duration
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description: Integration or acquisition time per measurement step.
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has_cathode:
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is_a: carried_out_by
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slot_uri: VOC4CAT:0007254
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range: string
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description: |-
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The electrode where reduction occurs in an electrochemical cell. It is the negative electrode in an electrolytic cell, while it is the positive electrode in a galvanic cell.
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has_anode:
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is_a: carried_out_by
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slot_uri: VOC4CAT:0007255
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range: string
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description: |-
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The electrode where oxidation occurs in an electrochemical cell. It is the positive electrode in an electrolytic cell, while it is the negative electrode in a galvanic cell.
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has_cell_operating_mode:
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is_a: has_qualitative_attribute
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slot_uri: SIO:000008
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range: string
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description: |-
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The functional mode of an electrochemical cell based on the direction of energy conversion, specifiying wheter the system generates electrical energy from spontaneous reactions or consumes energy to drive non-spontaneous reactions.
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has_active_area:
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is_a: has_quantitative_attribute
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slot_uri: SIO:000008
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range: QuantitativeAttribute
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description: |-
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In contrast to substrate area, the actual area of a sample or electrode which is active.
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has_faradaic_current:
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is_a: has_quantitative_attribute
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slot_uri: SIO:000008
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range: QuantitativeAttribute
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description: |-
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The current that is flowing through an electrochemical cell and is causing (or is caused by) chemical reactions (charge transfer) occurring at the electrode surfaces.
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has_stirrer_type:
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is_a: has_qualitative_attribute
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slot_uri: VOC4CAT:0008113
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range: string
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inlined: false
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inlined_as_list: false
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description: |-
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The category of mechanical or magnetic agitation device used to ensure homogeneous mixing within a reaction system or mixing vessel, such as a magnetic stirrer or an overhead mechanical (steel shaft) stirrer.
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has_stirrer_diameter:
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is_a: has_quantitative_attribute
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slot_uri: VOC4CAT:0008115
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range: QuantitativeAttribute
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description: |-
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The effective diameter of the stirrer. Typically expressed as the distance across the rotating blade or mixing head from one tip to the opposite tip.
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has_catalyst_particle_size:
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is_a: has_quantitative_attribute
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slot_uri: VOC4CAT:0008212
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range: QuantitativeAttribute
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description: |-
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A measure of the characteristic linear dimension of a particle in a sample, typically reported as diameter, equivalent diameter, or another size metric determined by an appropriate measurement method.
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has_catalyst_bed_volume:
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is_a: has_quantitative_attribute
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slot_uri: VOC4CAT:0007021
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range: QuantitativeAttribute
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description: |-
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The bulk volume taken up by the catalyst and potential diluent in a fixed bed reactor.
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has_catalyst_dilution_material:
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is_a: has_qualitative_attribute
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slot_uri: VOC4CAT:0008218
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range: QualitativeAttribute
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inlined: false
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inlined_as_list: false
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description: |-
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An inert solid mixed with catalyst particles in a fixed bed to modify bed properties (e.g., improve heat transfer, hydrodynamics or isothermicity) without participating in the reaction.
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has_catalyst_bed_height:
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is_a: has_quantitative_attribute
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slot_uri: VOC4CAT:0008217
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range: QuantitativeAttribute
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description: |-
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The axial length of the packed catalyst section in a reactor, measured along the direction of flow between the defined bed boundaries.
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