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Last data update: 2014.03.03
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R Release (3.2.3)
CranContrib
BioConductor
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Results 1 - 4 of 4 found.
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addMolecules
(Package: Rdisop) :
Add/subtract sum formulae
Simple arithmetic modifications of sum formulae.
● Data Source:
BioConductor
● Keywords: methods
● Alias: addMolecules, subMolecules
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0 images
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decomposeIsotopes
(Package: Rdisop) :
Mass Decomposition of Isotope Patterns
Calculate the elementary compositions from an exact Mass or Isotope Pattern, obtained e.g. by FTICR or TOF mass spectrometers
● Data Source:
BioConductor
● Keywords: methods
● Alias: decomposeIsotopes, decomposeMass, isotopeScore
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0 images
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getMolecule
(Package: Rdisop) :
Calculate mass and isotope information for a molecule given as sum formula
Parse the sum formula and calculate the theoretical exact mass and the isotope distribution.
● Data Source:
BioConductor
● Keywords: methods
● Alias: getFormula, getIsotope, getMass, getMolecule, getScore, getValid
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initializeCHNOPS
(Package: Rdisop) :
Initialize (a subset of) elements of the periodic system of
Initialize the information about name, mass and isotopes. To reduce the number of decomposition hypotheses, subsets of elements can be created.
● Data Source:
BioConductor
● Keywords: methods
● Alias: initializeCHNOPS, initializeCHNOPSMgKCaFe, initializeCHNOPSNaK, initializeCharges, initializeElements, initializePSE
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