Solution basesection

[budschi]

we need a basesection that handles solutions. That means adding Components to CompositeSystem by volume and weight. E.g.:

Solution 1: 
  - 0.1004 g (NH4)2HPO4 
  - 20 ml H2O

So far we can only add Components by weight.

[aalbino2]

basesection development. @budschi @hampusnasstrom

doublecheck:

• hysprint Micha
• Chemotion

Solution_preparation(Activity):
  m_def: template
  name:
  description:
  atmosphere:
  intended_sample_conc:
  obtained_conc:
  intended_tot_volume:
  obtained_tot_volume:
  steps:
    weighing:
      component(Component): 
      alias: (default value)
      container_mass:
      net_mass:
      brutto_mass:
      molecular_weight:
    pipetting: (better word)
      component(Component): 
      alias: (default value)
      measured_volume:
      density:
      container_mass:
      net_mass:
      brutto_mass:
      molecular_weight:
    mixing:
      mixed_aliases:
      alias: (default value based on mixed_aliases)
      mixing_time:
      container_type:
      temperature:
      rotation_speed:

[budschi]

• Discussion on standard synthesis processes in Area A TF 29.1.2024:
  • https://github.com/FAIRmat-NFDI/nomad-material-processing/issues/10
  • Weighing
  • powder
    • can be done with existing CompositeSystem
  • Solution
    • Solvent + Disolvent
    • volume, density
    • search for name of molecule as a compound
    • incubation parameters
    • Subclass of buffer solution?
  • Solution pprep
    • add component: mass, volume
    • incubation pa

Solution_preparation(Activity):
        m_def: template  
        name:  
        description:  
        atmosphere:  
        intended_sample_conc:  
        obtained_conc:  
        intended_tot_volume:  
        obtained_tot_volume:  
        steps: (repeating)  
          weighing:  
            component(Component):   
            alias: (default value)  
            container_mass:  
            net_mass:  
            brutto_mass:  
            molecular_weight:  
          volume measuring (pipetting): (better word)  
            component(Component):   
            alias: (default value)  
            measured_volume:  
            density:  
            container_mass:  
            net_mass:  
            brutto_mass:  
            molecular_weight:  
          mixing:  
            mixed_aliases:  
            alias: (default value based on mixed_aliases)  
            mixing_time:  
            container_type:  
            temperature:  
            rotation_speed:  
            atmosphere:  
            combination speed (adding speed?)  

• titration: add x until y is equal z

• setting a ph value , drop-wise adding

• [ ] check what Chemotion offers regading Solution an powder preparation

• [ ] MOF preparation Dinga

• [ ] Hysprint

• nice to have features:

  • concentration of compounds, molar ratio, mass per volume
  • calculator (Chemotion?)
  • simple table that can be parsed

• [ ] issue about versioning of ELN entry! (Who changed what in an ELN entry) --> timestamp --> important for patents

• [ ] make use topology to separate out solvent and

[aalbino2]

I have another solution preparation example, it is for now as received from a user: https://github.com/FAIRmat-NFDI/AreaA-data_modeling_and_schemas/blob/main/IKZ_plugin/src/movpe_IKZ/schema.py

The class is PrecursorsPreparationMovpe1IKZ

let's discuss this together to see how we can design it in the best way to be light and effective @hampusnasstrom @budschi !