#  Created by Martin Strohalm, Thermo Fisher Scientific

# import module
import pyeds

# init tools
eds = pyeds.EDS("data.cdResult")
review = pyeds.Review()

# open result file and review using the 'with' statement
with eds, review:

    # read and automatically insert full hierarchy
    path = [
        "ConsolidatedUnknownCompoundItem", "UnknownCompoundInstanceItem",
        "UnknownCompoundIonInstanceItem", "ChromatogramPeakItem",
        "MassSpectrumItem"
    ]
    items = eds.ReadHierarchy(path,
                              limits={"ConsolidatedUnknownCompoundItem": 1})

    hide = ["PeakModel", "Spectrum"]
    review.InsertItems(items, hide=hide, hierarchy=True, header=True)

# show review
review.Show()
Beispiel #2
0
#  Created by Martin Strohalm, Thermo Fisher Scientific

# import module
import pyeds

# open result file using the 'with' statement
with pyeds.EDS("data.cdResult") as eds:

    # read all items iterator
    items = eds.Read("ConsolidatedUnknownCompoundItem")
    print(items)
    print("")

    # advanced reading
    # - apply filter
    # - read selected properties only
    # - specify order
    # - specify limit and offset
    items = list(
        eds.Read("ConsolidatedUnknownCompoundItem",
                 query="RetentionTime > 3.8 AND RetentionTime < 4.1",
                 properties=["MolecularWeight", "RetentionTime", "MaxArea"],
                 order="MaxArea",
                 desc=True,
                 limit=1,
                 offset=3))

    # access values directly
    for item in items:
        print(item.RetentionTime)
        print(item.GetValue('RetentionTime'))