# 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()
# 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'))