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

sample_in_cell

Description: Composition of the solution in the cell including targets and chemical environment
Required: yes
Path: metadata.method_specific_parameters.measurements.sample_in_cell
Type: object (Sample)
Contains: see Fields available in sample

sample_in_syringe

Description: Composition of the solution in the syringe including targets and chemical environment
Required: yes
Path: metadata.method_specific_parameters.measurements.sample_in_syringe
Type: object (Sample)
Contains: see Fields available in sample

Fields available in sample

targets

Description: List of names (ids), from the entities of interest defined in the general parameters, of directly measured entities
Required: yes
Path: metadata.method_specific_parameters.measurements.ITC_sample.targets
Type: array of object (Entity_constituent)
Contains: see Entity_constituent

chemical_environment

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.ITC_sample.chemical_environment
Type: link (chemical_environment)
Target: metadata.general_parameters.chemical_environments.id

preparation_protocol

Description: List of steps taken to prepare the sample
Required: no
Path: metadata.method_specific_parameters.measurements.preparation_protocol
Type: array of object (Step)
Contains: see Step