Index

C

charge (isocor.base.LabelledChemical property) compute_correction_matrix() (isocor.base.InterfaceMSCorrector method) (isocor.mscorrectors.HighResMetaboliteCorrector method) (isocor.mscorrectors.LowResMetaboliteCorrector method) correct() (isocor.base.InterfaceMSCorrector method) (isocor.mscorrectors.LowResMetaboliteCorrector method)

correct_NA_tracer (isocor.base.LabelledChemical property) correction_formula (isocor.base.LabelledChemical property) correction_limit (isocor.mscorrectors.HighResMetaboliteCorrector property) correction_matrix (isocor.base.InterfaceMSCorrector property)

D

data_iso() (in module isocor.tests.conftest) data_isotopes (isocor.base.LabelledChemical property)

DEFAULT_ISODATA (isocor.base.LabelledChemical attribute) derivative_formula (isocor.base.LabelledChemical property)

F

formula (isocor.base.LabelledChemical property)

G

get_isoclust_bruteforce() (in module isocor.tests.test_isotopic_cluster_HighRes) (in module isocor.tests.test_isotopic_cluster_LowRes) get_isotopic_cluster() (isocor.mscorrectors.HighResMetaboliteCorrector method)

get_mass_distribution_vector() (isocor.mscorrectors.HighResMetaboliteCorrector method) (isocor.mscorrectors.LowResMetaboliteCorrector method) get_peaks_around() (isocor.mscorrectors.HighResMetaboliteCorrector method) get_tracershifted_peaks_between() (isocor.mscorrectors.HighResMetaboliteCorrector method)

H

HighResMetaboliteCorrector (class in isocor.mscorrectors)

I

inchi (isocor.base.LabelledChemical property) InterfaceMSCorrector (class in isocor.base) InterfaceMSCorrector.ImproperUsageError isocor.base module isocor.mscorrectors module isocor.tests.conftest module isocor.tests.test_all_cases module isocor.tests.test_correction_matrix_HighRes_resolved module isocor.tests.test_correction_matrix_HighRes_unresolved module isocor.tests.test_correction_matrix_LowRes module

isocor.tests.test_correction_process_HighRes module isocor.tests.test_correction_process_LowRes module isocor.tests.test_factory module isocor.tests.test_isotopic_cluster_HighRes module isocor.tests.test_isotopic_cluster_LowRes module isocor.tests.test_m_min_constant module isocor.tests.test_m_min_orbitrap module isotopic_inchi (isocor.base.LabelledChemical property)

L

LabelledChemical (class in isocor.base)

LowResMetaboliteCorrector (class in isocor.mscorrectors)

M

MetaboliteCorrectorFactory (class in isocor.mscorrectors) module isocor.base isocor.mscorrectors isocor.tests.conftest isocor.tests.test_all_cases isocor.tests.test_correction_matrix_HighRes_resolved isocor.tests.test_correction_matrix_HighRes_unresolved isocor.tests.test_correction_matrix_LowRes isocor.tests.test_correction_process_HighRes isocor.tests.test_correction_process_LowRes isocor.tests.test_factory isocor.tests.test_isotopic_cluster_HighRes isocor.tests.test_isotopic_cluster_LowRes isocor.tests.test_m_min_constant isocor.tests.test_m_min_orbitrap

molecular_weight (isocor.base.LabelledChemical property) mzshift_tracer (isocor.base.LabelledChemical property)

R

RES_FORMULAS (isocor.mscorrectors.HighResMetaboliteCorrector attribute)

T

test_badinput() (in module isocor.tests.test_factory) test_correction_process_misc() (in module isocor.tests.test_all_cases) test_high_res_cor_matrix() (in module isocor.tests.test_correction_matrix_HighRes_resolved) test_high_res_cor_matrix_unresolved() (in module isocor.tests.test_correction_matrix_HighRes_unresolved) test_high_res_correction() (in module isocor.tests.test_correction_process_HighRes) test_isoclust_against_bruteforce() (in module isocor.tests.test_isotopic_cluster_HighRes) (in module isocor.tests.test_isotopic_cluster_LowRes) test_isotopedata() (in module isocor.tests.test_factory)

test_low_res_cor_matrix() (in module isocor.tests.test_correction_matrix_LowRes) test_low_res_correction() (in module isocor.tests.test_correction_process_LowRes) test_m_min_constant() (in module isocor.tests.test_m_min_constant) test_m_min_orbitrap() (in module isocor.tests.test_m_min_orbitrap) test_MetaboliteCorrectorFactory() (in module isocor.tests.test_factory) test_typo_factory() (in module isocor.tests.test_factory) test_typo_parameter() (in module isocor.tests.test_factory) tracer_purity (isocor.base.LabelledChemical property)

U

usr_tolerance() (in module isocor.tests.conftest)