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YAML: Rearrange component keys related to electrolyte purity #51

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DunklesArchipel opened this issue Jan 24, 2022 · 2 comments
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@DunklesArchipel
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DunklesArchipel commented Jan 24, 2022

In the YAML file, the entries the purity and supplier keys in electrochemical_system.electrolyte.components should be adapted once the structure is more clear. Even though most of these aspects are not so relevant for echemdb since the values are often not provided in the literature it is important to set a certain standard for newly acquired data.

Examples:

acid

If this is fine, then we can extend the idea to solvents and gases.

name: HClO4
supplier: Merck
brand: suprapure
type: acid
purity:
    refinement: 
        description: Done this an that
        supplied grade: # only required 
             unit: 99.99
             value: pct
    grade: # The supplier purity unless refinement is given
        unit: 99.9999
        value: pct

solvent

name: H2O
type: solvent
purity:
    refinement: 
        dscription: Refined with MilliPore
        feed purity:
             TOC:
             conductivity: 
    TOC: ...
    conductivity: ....

gas

name: N2
type: gas
purity:
    TODO
@DunklesArchipel
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Maybe we can simply elaborate on these examples

@DunklesArchipel DunklesArchipel transferred this issue from echemdb/website Feb 26, 2024
@DunklesArchipel
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Moved this issue from the website repository. Not sure if this is still applicable.

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