aitomic.nomad_nmr.AutoExperiment¶

class aitomic.nomad_nmr.AutoExperiment(*, id, dataset_name, experiment_number, parameter_set, parameters, title, instrument, user, group, solvent, submitted_at)[source]¶

Data about an auto experiment stored in NOMAD.

Parameters:

id (str) – The experiment ID.
dataset_name (str) – The name of the dataset the experiment belongs to.
experiment_number (str) – The experiment number.
parameter_set (str) – The parameter set used to run the experiment.
parameters (str | None) – The parameters used to run the experiment.
title (str) – The title of the experiment.
instrument (str) – The id of the instrument used to run the experiment.
user (str) – The id of the user who ran the experiment.
group (str) – The id of the group the experiment belongs to.
solvent (str) – The id of the solvent used in the experiment.
submitted_at (datetime | None) – The time the experiment was submitted.

Attributes

`id`	The experiment id.
`dataset_name`	The name of the dataset the experiment belongs to.
`experiment_number`	The experiment number.
`parameter_set`	The parameter set used to run the experiment.
`parameters`	The parameters used to run the experiment.
`title`	The title of the experiment.
`instrument`	The id of the instrument used to run the experiment.
`user`	The id of the user who ran the experiment.
`group`	The id of the group the experiment belongs to.
`solvent`	The id of the solvent used in the experiment.
`submitted_at`	The time the experiment was submitted.

dataset_name: str¶: The name of the dataset the experiment belongs to.

experiment_number: str¶: The experiment number.

group: str¶: The id of the group the experiment belongs to.

id: str¶: The experiment id.

instrument: str¶: The id of the instrument used to run the experiment.

parameter_set: str¶: The parameter set used to run the experiment.

parameters: str | None¶: The parameters used to run the experiment.

solvent: str¶: The id of the solvent used in the experiment.

submitted_at: datetime | None¶: The time the experiment was submitted.

title: str¶: The title of the experiment.

user: str¶: The id of the user who ran the experiment.