aitomic.nomad_nmr.AutoExperimentQuery

class aitomic.nomad_nmr.AutoExperimentQuery(*, solvent=None, instrument_id=None, parameter_set=None, title=None, start_date=None, end_date=None, group_id=None, user_id=None, dataset_name=None, offset=None, limit=None)[source]

Query for auto experiments.

Most of the parameters here can be either a single value or a list of values. If a list is provided, the query will match if any of the values match. For example, this query:

query = nomad_nmr.AutoExperimentQuery(
    solvent=["DMSO", "CDCl3"],
    title=["test", "test-1"],
)

will match any experiment with a solvent of either DMSO or CDCl3 AND an experiment with a title of either test or test-1.

Examples

Parameters:
  • solvent (str | list[str] | None) – Filter for experiments with any of these solvents.

  • instrument_id (str | list[str] | None) – Filter for experiments done on any of these instruments.

  • parameter_set (str | list[str] | None) – Filter for experiments using any of these parameter sets.

  • title (str | list[str] | None) – Filter for experiments with any of these titles.

  • start_date (datetime | None) – Filter for experiments submitted after this date.

  • end_date (datetime | None) – Filter for experiments submitted before this date.

  • group_id (str | list[str] | None) – Filter for experiments belonging to any of these groups.

  • user_id (str | list[str] | None) – Filter for experiments created by any of these users.

  • dataset_name (str | list[str] | None) – Filter for experiments in any of these datasets.

  • offset (int | None) – Skip the first offset experiments.

  • limit (int | None) – Limit the number of experiments returned to limit.

Attributes

solvent

Filter for experiments with any of these solvents.

instrument_id

Filter for experiments done on any of these instruments.

parameter_set

Filter for experiments using any of these parameter sets.

title

Filter for experiments with any of these titles.

start_date

Filter for experiments submitted after this date.

end_date

Filter for experiments submitted before this date.

group_id

Filter for experiments belonging to any of these groups.

user_id

Filter for experiments created by any of these users.

dataset_name

Filter for experiments in any of these datasets.

offset

Skip the first offset experiments.

limit

Limit the number of experiments returned to limit.

dataset_name: str | list[str] | None

Filter for experiments in any of these datasets.

end_date: datetime | None

Filter for experiments submitted before this date.

group_id: str | list[str] | None

Filter for experiments belonging to any of these groups.

instrument_id: str | list[str] | None

Filter for experiments done on any of these instruments.

limit: int | None

Limit the number of experiments returned to limit.

offset: int | None

Skip the first offset experiments.

parameter_set: str | list[str] | None

Filter for experiments using any of these parameter sets.

solvent: str | list[str] | None

Filter for experiments with any of these solvents.

start_date: datetime | None

Filter for experiments submitted after this date.

title: str | list[str] | None

Filter for experiments with any of these titles.

user_id: str | list[str] | None

Filter for experiments created by any of these users.