Data model
MST
Measurement

Measurement

id

Description: Unique ID to be used as a link target
Required: yes
Path: metadata.method_specific_parameters.measurements.id
Type: link target (string)

name

Description: Name (id) of the measurement which must be unique within a record (i.e. triplicates must be named individually in the raw data file). The name must allow location of the measurement data within the raw data file as well as processed data files if these are present
Required: yes
Path: metadata.method_specific_parameters.measurements.name
Type: string

position

Description: Position where the container (capillary) of the measured sample within the instrument (e.g. 1, 2, 3)
Required: yes
Path: metadata.method_specific_parameters.measurements.position
Type: string (keyword)

sample

Description:Information about the sample including concentrations of ligands and targets, and which chemical environment the sample was composed of
Required: yes
Path: metadata.method_specific_parameters.measurements.sample
Type: object (Sample)
Contains: see Fields available in sample

Fields available in sample

targets

Description:Information about the sample including concentrations of ligands and targets, and which chemical environment the sample was composed of
Required: yes
Path: metadata.method_specific_parameters.measurements.targets
Type: object (Entity_constituent)
Contains: see Entity_constituent

ligands

Description:List of names (ids) of entities (from the entities of interest defined in the general parameters) that were used to alter the behavior of the target(s)
Required: yes
Path: metadata.method_specific_parameters.measurements.ligands
Type: object (Entity_constituent)
Contains: see Entity_constituent

chemical_environments

Description: Name (id) of the chemical environment of the sample (from the chemical environments defined in the general parameters)
Required: yes
Path: metadata.method_specific_parameters.measurements.chemical_environment
Type: link
Link Target: Chemical environment

measurement_container

Description: The container the sample was in during the measurement
Required: yes
Path: metadata.method_specific_parameters.measurements.measurement_container
Type: enumerator (string)
Options: ('Monolith Standard Capillary',
'Monolith Premium Capillary',
'Monolith LabelFree Capillary',
'Monolith LabelFree Premium Capillary',
'Monolith NT.Automated Capillary Chip',
'Monolith NT.Automated Premium Capillary Chip',
'Monolith NT.Automated LabelFree Capillary Chip',
'Monolith NT.Automated LabelFree Premium Capillary Chip',
'384-well plate',
'other')

preparation_protocol

Description: List of steps taken to prepare the sample, ending at the point where it was placed in the measurement container. Information include operations like filtration and which filter material and pore-size was used should be added
Required: no
Path: metadata.method_specific_parameters.measurements.preparation_protocol
Type: array of object (Step)
Contains: See Step