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Laboratory Instruments

Instruments are the equipment used for synthesis, processing, and characterization. Tracking instrument configurations ensures reproducibility and helps correlate results with specific tool conditions.

Overview

This schema package defines:

  • DTUInstrument - A laboratory instrument with capabilities, configurations, and usage tracking

Instruments extend NOMAD's Instrument entity, providing:

  • Unique lab IDs and asset numbers
  • Instrument type and model information
  • Capabilities and specifications
  • Configuration parameters
  • Maintenance and calibration history

Typical Usage

  1. Register instruments: Create DTUInstrument entries for sputter tools, XRD systems, XPS systems, etc.
  2. Reference in activities: Synthesis processes and measurements reference the instrument used
  3. Track configurations: Document chamber pressure, power supplies, detector settings, etc.
  4. Maintenance logs: Record calibrations, repairs, and modifications

Why Track Instruments?

Instrument details affect data quality and reproducibility:

  • Tool-to-tool variation: Different instruments can produce different results even with "identical" parameters
  • Configuration changes: Software updates, hardware modifications, and calibrations affect results
  • Troubleshooting: When results change unexpectedly, instrument logs help identify the cause
  • Publication requirements: Many journals require detailed instrument information

Instrument Types at DTU Nanolab

  • Deposition tools: Sputter systems, thermal evaporators
  • Processing tools: RTP furnaces, annealing systems
  • Characterization: XRD, XPS, EDX, Raman, ellipsometry, PL

Schema Documentation

Purge

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_last_purge nomad.metainfo.data_type.Datetime
number_of_purge_cycles float64 default=5
time_per_purge_cycles float64 unit=second, default=100
pressure_during_purge float64 unit=kilogram / meter / second ** 2, default=1

ProperCleaning

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_last_cleaning nomad.metainfo.data_type.Datetime
comment_about_last_cleaning str

OpeningToAir

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_last_opened_from_back nomad.metainfo.data_type.Datetime
comment_about_last_opened_to_air str

NonToxicGasInlet

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
non_toxic_gas_inlet_position_x float64 unit=meter, default=0
non_toxic_gas_inlet_position_y float64 unit=meter, default=0
non_toxic_gas_inlet_position_z float64 unit=meter, default=0
non_toxic_gas_inlet_direction str default=upwards
non_toxic_gas_inlet_pipe_diameter float64 unit=meter, default=0.025

ToxicGasInlet

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
toxic_gas_inlet_position_x float64 unit=meter, default=0
toxic_gas_inlet_position_y float64 unit=meter, default=0
toxic_gas_inlet_position_z float64 unit=meter, default=0
toxic_gas_inlet_direction str default=downward
toxic_gas_inlet_pipe_diameter float64 unit=meter, default=0.025

TaurusSource

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_changes nomad.metainfo.data_type.Datetime
pointed_towards_x float64 unit=meter
pointed_towards_y float64 unit=meter
distance_to_substrate float64 unit=meter, default=0.209
set_angle float64 unit=radian, default=0.8726
rotation float64 unit=radian, default=0
mounted_taret nomad.datamodel.metainfo.basesections.v1.CompositeSystem

Magkeeper3Source

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_changes nomad.metainfo.data_type.Datetime
pointed_towards_x float64 unit=meter
pointed_towards_y float64 unit=meter
distance_to_substrate float64 unit=meter, default=0.201
set_angle float64 unit=radian, default=0.8377
rotation float64 unit=radian, default=0

Magkeeper4Source

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_changes nomad.metainfo.data_type.Datetime
pointed_towards_x float64 unit=meter
pointed_towards_y float64 unit=meter
distance_to_substrate float64 unit=meter, default=0.201
set_angle float64 unit=radian, default=0.8377
rotation float64 unit=radian, default=0

SCrackerSource

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.data.ArchiveSection

properties:

name type
date_of_changes nomad.metainfo.data_type.Datetime
pointed_towards_x float64 unit=meter
pointed_towards_y float64 unit=meter
distance_to_substrate float64 unit=meter, default=0.227
set_angle float64 unit=radian, default=1.1344
S_cracker_extension_into_chamber float64 unit=meter, default=0

DTUInstrument

description: Class autogenerated from yaml schema.

inherits from: nomad.datamodel.metainfo.basesections.v1.Instrument, nomad.datamodel.data.EntryData

properties:

name type
time_used_chamber float64 unit=second
base_pressure float64 unit=kilogram / meter / second ** 2, default=1.7e-06
chamber_history str
purge Purge sub-section, repeats
proper_cleaning ProperCleaning sub-section, repeats
opening_to_air OpeningToAir sub-section, repeats
non_toxic_gas_inlet NonToxicGasInlet sub-section, repeats
toxic_gas_inlet ToxicGasInlet sub-section, repeats
Taurus_source TaurusSource sub-section, repeats
Magkeeper3_source Magkeeper3Source sub-section, repeats
Magkeeper4_source Magkeeper4Source sub-section, repeats
S_cracker_source SCrackerSource sub-section, repeats

normalization:

The normalizer for the DTUInstrument class.

Args: archive (EntryArchive): The archive containing the section that is being normalized. logger (BoundLogger): A structlog logger.