fusion: For Fusion chromatograms

Extractors for data files created and exported from Inficon Fusion Micro GCs.

yadg.extractors.fusion.csv module

For processing Inficon Fusion csv export format (csv). This is a tabulated format, including the concentrations, mole fractions, peak areas, and retention times.

Warning

As also mentioned in the csv files themselves, the use of this filetype is discouraged, and the json files (or a zipped archive of them) should be parsed instead.

Usage

Available since yadg-4.0.

pydantic model dgbowl_schemas.yadg.dataschema_6_0.filetype.Fusion_csv

Config:

extra: str = forbid

Validators:

field filetype: Literal['fusion.csv'] [Required]

Schema

xarray.DataTree:
  coords:
    uts:                !!float               # Unix timestamp
    species:            !!str                 # Species name
  data_vars:
    area:               (uts, species)        # Integrated peak area
    concentration:      (uts, species)        # Calibrated peak area
    xout:               (uts, species)        # Mole fraction (normalised conc.)
    retention time:     (uts, species)        # Retention time

Metadata

The following metadata is extracted:

method: Name of the chromatographic method.

Uncertainties

The uncertainties are derived from the string representation of the floats.

Code author: Peter Kraus

yadg.extractors.fusion.csv.extract(*, fn: str, encoding: str, timezone: str, **kwargs: dict) → DataTree

yadg.extractors.fusion.json module

For processing Inficon Fusion json data. Contains both the data from the raw chromatogram and the post-processed results.

Usage

Available since yadg-4.0.

pydantic model dgbowl_schemas.yadg.dataschema_6_0.filetype.Fusion_json

Config:

extra: str = forbid

Validators:

field filetype: Literal['fusion.json'] [Required]

Schema

xarray.DataTree:
  coords:
    uts:              !!float
    species:          !!str
  data_vars:
    height:           (uts, species)        # Peak height at maximum
    area:             (uts, species)        # Integrated peak area
    concentration:    (uts, species)        # Calibrated peak area
    xout:             (uts, species)        # Mole fraction (normalized conc.)
    retention time:   (uts, species)        # Peak retention time
  {{ detector_name }}:
    coords:
      uts:            !!float               # Unix timestamp
      elution_time:   !!float               # Elution time
    data_vars:
      signal:         (uts, elution_time)   # Signal data
      valve:          (uts)                 # Valve position

Metadata

No metadata is currently extracted.

Code author: Peter Kraus

yadg.extractors.fusion.json.chromdata(jsdata: dict, uts: float) → Dataset

yadg.extractors.fusion.json.chromtrace(jsdata: dict, uts: float) → DataTree

yadg.extractors.fusion.json.extract(*, fn: str, encoding: str, timezone: str, **kwargs: dict) → DataTree

yadg.extractors.fusion.zip module

For processing Inficon Fusion zipped data. This is a wrapper parser which unzips the provided zip file, and then uses the yadg.extractors.fusion.json extractor to parse every fusion-data file present in the archive.

Contains both the data from the raw chromatogram and the post-processed results.

Usage

Available since yadg-4.0.

pydantic model dgbowl_schemas.yadg.dataschema_6_0.filetype.Fusion_zip

Config:

extra: str = forbid

Validators:

field filetype: Literal['fusion.zip'] [Required]

Schema

xarray.DataTree:
  coords:
    uts:              !!float
    species:          !!str
  data_vars:
    height:           (uts, species)        # Peak height at maximum
    area:             (uts, species)        # Integrated peak area
    concentration:    (uts, species)        # Calibrated peak area
    xout:             (uts, species)        # Mole fraction (normalized conc.)
    retention time:   (uts, species)        # Peak retention time
  {{ detector_name }}:
    coords:
      uts:            !!float               # Unix timestamp
      elution_time:   !!float               # Elution time
    data_vars:
      signal:         (uts, elution_time)   # Signal data
      valve:          (uts)                 # Valve position

Metadata

No metadata is currently extracted.

Code author: Peter Kraus

yadg.extractors.fusion.zip.extract(*, fn: str, timezone: str, encoding: str, **kwargs: dict) → DataTree