uvvispy.metadata module

Metadata: crucial information about the numerical data.

Metadata

In this module, the individual metadata classes are defined which contain the individual information about the experiment:

What may sound like a minor detail is one key aspect of the UVVisPy package: The metadata and their structure provide a unified interface for all functionality operating on datasets. Furthermore, the metadata contained particularly in the uvvispy.metadata.ExperimentalDatasetMetadata class are the result of several years of practical experience. Reproducible research is only possible if all information necessary is always recorded, and this starts with all the metadata accompanying a measurement. Defining what kind of metadata is important and needs to be recorded, together with metadata formats easily writable by the experimenters during recording the data requires a thorough understanding of both, the method and the setup(s) used. For an overview of the structures of the dataset classes and their corresponding metadata, see the dataset structure section.

Module documentation

class uvvispy.metadata.ExperimentalDatasetMetadata

Bases: aspecd.metadata.ExperimentalDatasetMetadata

Set of all metadata for a dataset object.

Metadata as a unified structure of information coupled to the dataset are necessary for the understanding, analysis and processing of data, especially in UVVisPy. Too many parameters have an direct influence to the spectral shape of the spectrum that anything other than saving them in an appropriate place and accessing them automatised in the respective tasks is no option. Some parameters are written automatically by the spectrometer’s software, others, depending also on the actual setup (that may change over time!) are omitted and it is highly recommended those should be noted by hand, for example in an .info-file.

cell

Metadata corresponding to the cell used for the experiment.

Type

uvvispy.metadata.Measurement

experiment

Metadata corresponding to the actual experiment.

Type

uvvispy.metadata.Experiment

spectrometer

Metadata corresponding to the spectrometer used for the experiment.

Type

uvvispy.metadata.Spectrometer

class uvvispy.metadata.Sample

Bases: aspecd.metadata.Sample

Metadata corresponding to the sample measured.

solvent

Solvent used.

Type

str

concentration

Type of the cell as given by the manufacturer.

Type

aspecd.metadata.PhysicalQuantity

preparation

Details on the preparation of the sample (concise!)

Type

str

class uvvispy.metadata.TemperatureControl

Bases: aspecd.metadata.TemperatureControl

Metadata corresponding to the temperature control.

cryostat

Type of the cryostat used (as given by the manufacturer).

Type

str

cryogen

Type of cryogen.

Typical values are “LN2”, “LHe”

Type

str

class uvvispy.metadata.Cell

Bases: aspecd.metadata.Metadata

Metadata corresponding to the cell used for the experiment.

manufacturer

Manufacturer of the optical cell.

Type

str

type

Type of the cell as given by the manufacturer.

Type

str

pathlength

Optical pathlength of the cell, usually 1 cm.

Type

aspecd.metadata.PhysicalQuantity

class uvvispy.metadata.Experiment

Bases: aspecd.metadata.Metadata

Metadata corresponding to the actual experiment.

type

Type of experiment, such as “spectrum” or “kinetics”

Type

str

measurement_mode

Measurement mode of the experiment.

Typical values are “absorption”, “transmission”

Type

str

class uvvispy.metadata.Spectrometer

Bases: aspecd.metadata.Metadata

Metadata corresponding to the spectrometer used for the experiment.

manufacturer

Name of the manufacturer

Type

str

model

Model as provided by the manufacturer, usually a short string

Type

str

software

Name and version of the software used to record the data

Type

str