AssignmentBasic

ccpnmr.analysis.core.AssignmentBasic.addPeakResonancesToSeqSpinSystems(peak, seqOffsets)

Set the spin systems of a peak’s resonances to have sequential connectivity according to sequence offsets. Sequence offsets for HN(CO)CA would be (None,-1,None), for H,C,N dims

Input

Nmr.Peak, List of Int (Nmr.ResonanceGroupProb.sequenceOffset)

Output

List of Nmr.ResonanceGroups

ccpnmr.analysis.core.AssignmentBasic.addPeakResonancesToSpinSystem(peaks)

Add the resonances assigned to given peaks to a spin system. Makes a new spin system if none exists for the resonances Multiple spin systems will be merged, if present, for resonances upon confirmation

Input

List of Nmr.Peaks

Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.addSpinSystemResonance(spinSystem, resonance)

Add a resonance to a given spin system

Input

Nmr.ResonanceGroup, Nmr.Resonance

Output

List of Nmr.Resonances (belonging to the spin system)

ccpnmr.analysis.core.AssignmentBasic.aliasedPeakDimPosition(peakDim)

Give the position in PPM for a peak dimension

Input

Nmr.PeakDim

Output

Float (ppm)

ccpnmr.analysis.core.AssignmentBasic.areResonancesProchiral(resonanceA, resonanceB)

Determine if a pair of resonances are assigned to a potentially prochiral pair of atoms.

Input

Nmr.Resonance, Nmr.Resonance

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.assignAtomsToRes(atomSets, resonance, resonanceSet=None)

Assign a resonance to given atom sets via a resonanceSet (optionally specified) Checks ensure that the resonance ends up in the correct spin system

Input

List of Nmr.AtomSets, Nmr.Resonance, Nmr.ResonanceSet

Output

Nmr.ResonanceSet

ccpnmr.analysis.core.AssignmentBasic.assignPeakDim(resonance, peakDim, atomSets=None, contrib=None, tolerance=None)

Assigns a given peak dimension to a given resonance, via a given peakDim contribution if specified and assign the resonance to atom sets if specified

Input
Nmr.Resonance, Nmr.PeakDim, List of Nmr.AtomSets,
Nmr.PeakDimContrib, Float
Output

Nmr.PeakDimContrib

ccpnmr.analysis.core.AssignmentBasic.assignResToDim(peakDim, resonance=None, contrib=None, tolerance=None, doWarning=True, peakContribs=None)

Assign a resonance to a peak dimension, via a specified peakDimContrib if needed. Assigns a new resonance if none is input. Can also specify a set of peakContribs (grouped assigment possibilities) that the assignment relates to.

Input
Nmr.PeakDim, Nmr.Resonance, Nmr.PeakDimContrib, Float
Boolean, List of Nmr.PeakContribs
Output

Nmr.PeakDimContrib

ccpnmr.analysis.core.AssignmentBasic.assignResonanceResidue(resonance, residue)

Changes the assignment of a resonance to a given residue if an appropriately named atom set can be found for the resonance’s assignName.

Input

Nmr.Resonance, Nmr.Residue

Output

None

ccpnmr.analysis.core.AssignmentBasic.assignResonanceType(resonance, atomSets=None, assignNames=None)

Sets the assign names for a resonance according to given AtomSets or atom names without performing a real assignment. If no atom sets or assign names are given then all typing information is removed.

Input

Nmr.Resonance, List of Nmr.AtomSets or None, List of Words or NOne

Output

None

ccpnmr.analysis.core.AssignmentBasic.assignSpinSystemResidue(spinSystem, residue=None, warnMerge=False)

Connect a given spin system to a residue. Resonances in the spin system are assigned where possible. Also used to disconnect from a residue if Residue is None. Optionally merge spin systems assigned to same residue, given warning.

Input

Nmr.ResonanceGroup, Nmr.Residue, Boolean, Boolean

Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.assignSpinSystemType(spinSystem, ccpCode=None, molType=None)

Assigns a spin system to a given type of possible residue

Input

Nmr.ResonanceGroup, Word(Molecule.MolResidue.ccpCode), Word(Molecule.MolResidue.molType)

Output

None

ccpnmr.analysis.core.AssignmentBasic.assignTentativeAtoms(atomSets, resonance, weight=1.0, doWarnings=False)

Set a tentative/provisional/trial assignment from a resonance to the input atoms. Optionally set weight of the tentative assignment.

Input

List of Nmr.AtomSets, Nmr.Resonance, Float, Boolean

Output

None

ccpnmr.analysis.core.AssignmentBasic.assignTentativeSpinSystemResidues(spinSystem, residues, weight=1.0, doWarnings=False)

Set a tentative/provisional/trial residue assignments for a given spin system. Optionally set weight of the tentative assignment.

Input

Nmr.ResonanceGroup, List of MolSystem.Residues, Float, Boolean

Output

List of Nmr.ResidueProbs

ccpnmr.analysis.core.AssignmentBasic.averageShiftValue(shift, simulatedPeakScale=0.0001)

Calculates the value and error for a given shift based upon the peaks to which its resonance is assigned. Also sets links to appropriate peaks and peak dims. Optional float to scale simulated peak contributions (normally so that they have much less influence)

Input

Nmr.Shift, Float

Output

Float (shift.value)

ccpnmr.analysis.core.AssignmentBasic.clearPeakDim(peakDim, contrib=None)

Clear a peak dimension of any or a specified peakDim contribution Recalculates shifts of the resonances involved

Input

Nmr.PeakDim, Nmr.PeakDimContrib

Output

None

ccpnmr.analysis.core.AssignmentBasic.clearResonancePeakDimContribs(resonance, peaks=None)

Remove a resonance’s peak dim contributions present in a specified list of peaks or all peaks in project (if peak=None)

Input

Nmr.Resonance, List of Nmr.Peaks

Output

None

Remove sequential links for a spin system. A sequence offset may be specified otherwise all sequential links are removed.

Input

Nmr.ResonanceGroup, Int

Output

None

ccpnmr.analysis.core.AssignmentBasic.deassignResonance(resonance, clearAssignNames=True)

Disconnects a resonance from any assigned atomSets. Option to remove previous assignment atom names

Input

Nmr.Resonance

Output

None

ccpnmr.analysis.core.AssignmentBasic.findConnectedSpinSystem(spinSystem, delta=-1)

Find a spin system sequentially connected to the input one with given sequence offset.

Input

Nmr.ResonanceGroup, Int

Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.findConnectedSpinSystems(spinSystem, delta=None)

Find spin systems sequentially connected to the input one with given sequence offset.

Input

Nmr.ResonanceGroup, Int .. describe:: Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.findFirstAtomShiftInShiftList(atom, shiftList)

Finds the first shift in a shiftList for the specified atom.

Input

MolSystem.Atom, Nmr.ShiftList

Output

Nmr.Shift

ccpnmr.analysis.core.AssignmentBasic.findMatchingPeakDimShifts(peakDim, shiftRanges=None, tolerance=None, aliasing=True, findAssigned=False, ppm=None)

For peakDim give the NMR shifts within a tolerance (which may be specified) of its position in a given set of ranges with options if the peakDim position might be aliased and to find only shifts with resonances assigned to atoms. Obeys molSystem assignments for atom linked peaks - these must match the peakDim’s experiment molSystems. Option to pas in an alternative ppm value if the main peakDim value is not to be used (e.g. reduced dimensionality MQ etc).

Input

Nmr.PeakDim, List of Tuples (Float, Float) Float, Boolean, Boolean, Float

Output

List of Nmr.Shifts

ccpnmr.analysis.core.AssignmentBasic.findMatchingShifts(dataDimRef, position, tolerance=None, findAssigned=False)

For a dataDimRef give the NMR shifts within a tolerance (which may be specified) to a given position with an option to find only shifts with resonances assigned to atoms

Input

Nmr.DataDimRef, Float, Float, Boolean

Output

List of Nmr.Shifts

ccpnmr.analysis.core.AssignmentBasic.findResonanceSet(resonance, atomSets)

Find the resonance set, if any, that connects a resonance to given atomSets Or that is shared between atomSets

Input

Nmr.Resonance, List of Nmr.AtomSets

Output

Nmr.ResonanceSet

ccpnmr.analysis.core.AssignmentBasic.findSpinSystem(resonance)

Find the spin system in which a resonance resides makes a new spin system if none is found

Input

Nmr.Resonance

Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.getAliasedPeakDimPositions(peakDim, shiftRanges=None, ppm=None)

Give all the aliased/unaliased positions of a peakDim either in a specified shift range or the full range for the dimension type. Units for the shift ranges are ppm. Note this function uses the peakDim.realValue, i.e. center of couplings for main assignment. Use the PeakBasic version if the actual extremum location should be used. Optional ppm argument if main position is not the one to be considered, e.g. in reduced dimensionality or MQ.

Input

Nmr.PeakDim, List of (Tuples of Floats (MinShift,MaxShift) )

Output

List of Floats (Nmr.PeakDim.positions)

ccpnmr.analysis.core.AssignmentBasic.getAmbigProchiralLabel(resonance)

Deterimine if an ambigous prochiral resonance (non-stereospecifically assigned) Has an “a” label or a “b” label. “a” is reserved for the upfield proton and any other nulceus bound to it.

Input

Nmr.Resonance

Output

Character

ccpnmr.analysis.core.AssignmentBasic.getAtomSetShifts(atomSet, shiftList=None)

Gives the shifts that an atom set may be assigned to in a specified shift list or the first shift list in the project if none is specified.

Input

Nmr.AtomSet, Nmr.ShiftList

Output

List of Nmr.Shifts

ccpnmr.analysis.core.AssignmentBasic.getBoundResonances(resonance, recalculate=False, contribs=None, doWarning=False)

Find all resonances that have a single bond connection to the input resonance Option to recalculate given assignment status (e.g. if something changes) Option to specify peakDimContribs to search

Input

Nmr.Resonance, Boolean, List of Nmr.PeakDimContribs

Output

List of Nmr.Resonances

ccpnmr.analysis.core.AssignmentBasic.getDataDimFullShiftRange(dataDim)

Give the min and max possible chem shifts for a spectrums data dim based on set min/max epDim frequencies or full spec with

Input

Nmr.FreqDataDim

Output

List of Floats

ccpnmr.analysis.core.AssignmentBasic.getFixedResonanceName(resonance)

Give the name for a fixedResonance, based upon a normal resonance

Input

Nmr.Resonance

Output

String

ccpnmr.analysis.core.AssignmentBasic.getOnebondResonance(resonance, isotopeCode=None)

Find any resonance that may have a single bond connetion to the input resonance Option to specify the isotope type

Input

Nmr.Resonance, Nmr.Resonance.isotopeCode

Output

Nmr.Rssonance

ccpnmr.analysis.core.AssignmentBasic.getPeakDimAtomTuple(peakDim)

Give a tupe of string identifiers for a peakDim indicating, chain, residue and atomic assignment

Input

Nmr.PeakDim

Output

3-Tuple of Words

ccpnmr.analysis.core.AssignmentBasic.getPeakDimFullShiftRange(peakDim)

Give the min and max possible chem shifts for a peak dim based on set min/max epDim frequencies or full spec with

Input

Nmr.PeakDim

Output

List of Floats

ccpnmr.analysis.core.AssignmentBasic.getPeakDimPpm(peakDim)

Gives the position in PPM for a given peak dimension

Input

Nmr.PeakDim

Output

Float (ppm)

ccpnmr.analysis.core.AssignmentBasic.getResidueResonances(residue, atomType=None)

Find the resonances (for a given atom type if specified) assigned to a given residue

Input

Nmr.Residue, Word (ChemComp.ChemAtom.elementSymbol)

Output

List of Nmr.Resonances

ccpnmr.analysis.core.AssignmentBasic.getResonanceAtomTuple(resonance)

Give a tupe of string identifiers for a resonance indicating, chain, residue and atomic assignment

Input

Nmr.Resonance

Output

Tuple of Words (MolSystem.Chain.code, MolSystem.Residue identifier, Nmr.Resonance identifier)

ccpnmr.analysis.core.AssignmentBasic.getResonanceLabellingFraction(resonance, labelling)

Get the fraction of labelling for a given resonance’s assignment or make a guess if it is atom typed and in a residue typed spin system. Can work with a reference isotopomer scheme or a labeled mixture.

Input

Nmr.Resonance, ChemComLabel.LabelingScheme or LabeledMolecule.LabeledMixture

Output

Float

ccpnmr.analysis.core.AssignmentBasic.getResonanceMolSystem(resonance)

Find, if any exists, the molecular system associated with a given resonance by virtue of a direct assignment or spin system link.

Input

Nmr.Resonance

Output

Nmr.MolSystem or None

ccpnmr.analysis.core.AssignmentBasic.getResonanceName(resonance)

Generate a name for a resonance or fixedResonance based upon its assignment

Input

Nmr.Resonance or NmrConstraint.FixedResonance

Output

String

ccpnmr.analysis.core.AssignmentBasic.getResonancePairLabellingFraction(resonanceA, resonanceB, labelling)

Get the fraction of a pair of resonances both being labelled given a labelling scheme. Considers individual isotopomers if the resonances are bound within the same residue. Can work with a reference isotopomer scheme or a labeled mixture.

Input

Nmr.Resonance, Nmr.Resonance, ChemComLabel.LabelingScheme or LabeledMolecule.LabeledMixture

Output

Float

ccpnmr.analysis.core.AssignmentBasic.getResonanceResidue(resonance)

Find the residue, if any, to which a resonance is assigned via atomSets etc

Input

Nmr.Resonance

Output

Nmr.Residue or None

Get any sequential spin system links (resonanceGroupProbs). An optional sequence offset may be specified.

Input

Nmr.ResonanceGroup, Int

Output

List of Nmr.ResonanceGroupProbs

ccpnmr.analysis.core.AssignmentBasic.getShiftLists(nmrProject)

Get all the shift lists associated with an NMR project.

Input

Nmr.NmrProject

Output

Nmr.ShiftList

ccpnmr.analysis.core.AssignmentBasic.getSpinSystemChemComps(spinSystem)

Find a ChemComps that spin system is assigned to, or tentatively assigned to.

Input

Nmr.ResonanceGroup

Output

list of MolSystem.Residue. Contains no duplicates

ccpnmr.analysis.core.AssignmentBasic.getSpinSystemResidues(spinSystem)

Find a residues that spin system is assigned to, or tentatively assigned to.

Input

Nmr.ResonanceGroup

Output

list of MolSystem.Residue. Contains no duplicates

ccpnmr.analysis.core.AssignmentBasic.getSyntheticShiftLists(nmrProject)

Get all the synthetic shift lists associated with an NMR project.

Input

Nmr.NmrProject

Output

Nmr.ShiftList

ccpnmr.analysis.core.AssignmentBasic.initResonance(resonance, doMerge=True)

Initialise a resonance. If the resonance is assigned it is placed in a spin system if appropriate and its assignName is set. Optional argument to set whether merging spin systems is allowed. Typically this is not allowed upon load, but is allowed when assigning within Analysis.

Input

Nmr.Resonance, Boolean

Output

None

ccpnmr.analysis.core.AssignmentBasic.isAtomAssigned(atom, toPeaks=False)

Determines if an atom is assigned to any resonances, with an optional argument to check if the resonances are linked to peaks.

Input

MolSystem.Atom

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.isChainAssigned(chain)

Determines if an NMR chain has any atoms in its residues that are assigned to resonances

Input

Nmr.Chain

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.isOnebondMismatched(peakDim, resonance, spectrum=None)

Check to make sure a resonance to peakDim assignment obeys experimental onbond relationshps.

Input

Nmr.PeakDim, Nmr.Resonance, Nmr.DataSource

Output

String (warning message) or None

ccpnmr.analysis.core.AssignmentBasic.isPeakAssigned(peak, fully=True)

Determines if a peak is assigned, ether fully or partially

Input

Peak, Boolean

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.isResidueAssigned(residue)

Determines if an NMR residue has any atoms that are assigned to resonances

Input

MolSystem.Residue

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.isShiftInRange(shiftValue, shiftRanges)

Determine whether a chemical shift value is contained within one of the input ranges.

Input

Float (Nmr.Shift.value), List of Tuples of Floats (min, max range bounds)

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.makeAtomSetsGuiName(atomSets)

Give the name of a given set of atoms for GUIs

Input

List of Nmr.AtomSets

Output

Word

ccpnmr.analysis.core.AssignmentBasic.makePeakDimAnnotation(peakDim)

Makes an annotation string for a given peak dimension according to its assignment status

Input

Nmr.PeakDim

Output

String (Nmr.PeakDim.annotation)

ccpnmr.analysis.core.AssignmentBasic.makeResonanceGuiName(resonance, fullName=True, doAtoms=None)

Give the name of a resonance for GUIs. Either full identifier or just the atom type name (if any), Option to force the display of atom assignements set doAtoms to Ture/False

Input

Nmr.Resonance, Boolean, Boolean

Output

Word

Make a sequential link with a give offset between two spin systems. Assigning A to B with a delta of 1 assumes B is C-terminal/upstream of A

Input

Nmr.ResonanceGroup, Nmr.ResonanceGroup, Int

Output

Nmr.ResonanceGroupProb

ccpnmr.analysis.core.AssignmentBasic.mergeResonances(resonanceB, resonanceA)

Merge two resonances and their shifts into one

Input

Nmr.Resonance, Nmr.Resonance

Output

Nmr.Resonance

ccpnmr.analysis.core.AssignmentBasic.mergeSpinSystems(spinSystemB, spinSystemA)

Merge the resonances from two spin systems into one spin system

Input

Nmr.ResonanceGroup, Nmr.ResonanceGroup

Output

Nmr.ResonanceGroup

ccpnmr.analysis.core.AssignmentBasic.newPeakDimContrib(peakDim, resonance, peakContribs=None)

Make a peakDim to resonance assignment via a PeakDimContrib. Optional argument to specify which PeakContrib assignment possibilities the peakDim assignment relates to.

Input

Nmr.PeakDim, Nmr.Resonance, List of Nmr.PeakContribs

Output

Nmr.PeakDimContrib

ccpnmr.analysis.core.AssignmentBasic.newResonance(project, isotopeCode='unknown')

Make a new resonance in a given project. Sets initial isotopeCode. Uses the current NMR project.

Input

Project, Word (Resonance.isotopeCode)

Output

Nmr.Resonance

ccpnmr.analysis.core.AssignmentBasic.newSpinSystem(project)

Make a new spin system for a project

Input

Project

Output

Nmr.ResonanceGroup (spin system)

ccpnmr.analysis.core.AssignmentBasic.propagatePeakAssignments(peaks, refPeak=None, cleanNonRef=False, tolerances=None, warnUnalias=False)

Propogates approprate assignments across a group of peaks e.g. to spead F1 F3 assignments to a column of peaks in the same spin system. If a refPeak is present it will not be affected but its assignments will be used instead of the assignments from the other peaks. cleanNonRef Boolean option is used when there is a reference peak so that the non-reference peaks may be cleaned prior to propagation. Optional argument to pass in the tolerences for each dimension. Note peaks can be of different dimensions, but if you pass in tolerances, tolerances map 1:1 to peak.sortedPeakDims()

Input

List of Nmr.Peaks, Nmr.Peak, Boolean, Dict of Resonance.isotopeCode:Float, Boolean

Output

None

ccpnmr.analysis.core.AssignmentBasic.removeAssignmentNotifiers()

Remove the notification calls to automatically update annotations and quick shift lookups when assignments change.

Input

None

Output

None

ccpnmr.analysis.core.AssignmentBasic.removeSpinSystemResonance(spinSystem, resonance)

Remove a resonance from a given spin system

Input

Nmr.ResonanceGroup, Nmr.Resonance

Output

None

ccpnmr.analysis.core.AssignmentBasic.setAssignmentMolSystem(residue, peakDim=None, resonance=None)

Sets the MolSystem.Molsystem for all experiments with assignments to a given resonance and/or the experiment for a given peakDim Displays a warning if an assignment is made outside an experiment’s list of molSystems.

Input

MolSystem.Residue, Nmr.PeakDim, Nmr.Resonance

Output

Boolean

ccpnmr.analysis.core.AssignmentBasic.setQuickShiftList(shift)

Sets up a list of lists of shifts for a shift list accessed by shift.value: quicker than searching all

Input

Nmr.Shift

Output

None

ccpnmr.analysis.core.AssignmentBasic.setResonanceTypeFromRefExp(resonance, refExpDimRef)

Set a resonance’s assign names based on a refExpDimRef to which it is assigned. Currently limited to CO, CA, CB, HA.

Input

Nmr.Resonance, NmrExpPrototype.RefExpDimRef

Output

None

ccpnmr.analysis.core.AssignmentBasic.setupAssignmentNotifiers()

Set up the notification calls to automatically update annotations and quick shift lookups when assignments change.

Input

None

Output

None

ccpnmr.analysis.core.AssignmentBasic.splitResonance(resonance)

Split assignments that were once thought to be from one resonance into assignments from two.

Input

Nmr.Resonance

Output

Nmr.Resonance

ccpnmr.analysis.core.AssignmentBasic.swapProchiralResonance(resonance, makeAmbiguous=False)

If a resonance is assigned to a prociral centre in a stereospecific manner, change the assignment to the other prochiral atom set. Automatically swaps over any other resonance that may be assigned to the other prochiral option. If the makeAmbiguous option is True then the unambiougously assigned resonances are changed to ambigous assignments by assigning resonances to both prochiral options.

Input

Nmr.Resonance, Boolean

Output

None

ccpnmr.analysis.core.AssignmentBasic.swapSpinSystemResonances(spinSystemB, spinSystemA)

Swaps the resonances for as pair of spin systems. Spin systen assignments updates according to resonance assignments

Input

Nmr.ResonanceGroup, Nmr.ResonanceGroup

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateAllShifts(shiftList)

Recalculate the values for all shifts in a shift list given peak assignments

Input

Nmr.ShiftList

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateAtomSetMapping(atomSetMapping, atomSets=None)

Refresh an AtomSetMapping according to the current assignment status. AtomSets optionally passed into increase speed

Input

Analysis.AtomSetMapping, List of Nmr.AtomSets

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateContribPeakDimAnnotation(contrib)

Updates annotation string for the peak dimension of a given contribution according to its assignment status

Input

Nmr.PeakDimContrib

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateDataDimShifts(analysisDataDim)

Update the shifts of resonances assigned to a given dim of peaks of a given spectrum. Required if the spectrum data dims chem shift weighting changes.

Input

Analysis.AnalysisDataDim

Output

None

ccpnmr.analysis.core.AssignmentBasic.updatePeakDimShifts(peakDim)

Update the shifts of resonances assigned to a peakDim if that peakDim changes

Input

Nmr.PeakDim

Output

None

ccpnmr.analysis.core.AssignmentBasic.updatePeakShifts(peak)

Update the shifts of resonances assigned to a peak. Required if the peak’s figure of merit changes

Input

Nmr.Peak

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResidueAnnotation(residue)

Update the annotations for the peaks assigned to a residues resonances

Input

MolSystem.Residue

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResidueProbAnnotation(residueProb)

Update the annotations for the peaks assigned to a resonances within a spin system that has a tentative assignment.

Input

Nmr.ResidueProb

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResonShift(resonance, peakDim)

Update the shift values (and error) for a given resonance given assignment to a given peak dimension. The shift list is approriate to the peakDim’s experiment. Note that shift to peak and shift to peak dim links are also set.

Input

Nmr.Resonance, Nmr.PeakDim

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResonanceAnnotation(resonance)

Update the annotations for the peaks assigned to a given resonance

Input

Nmr.Resonance

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResonanceGroupAnnotation(spinSystem)

Update the annotations for the peaks assigned to a resonances within a spin system.

Input

Nmr.ResidueProb

Output

None

ccpnmr.analysis.core.AssignmentBasic.updateResonanceSetAnnotation(resonanceSet)

Update the annotations for the peaks assigned to a resonanceSet’s resonances

Input

Nmr.ResonanceSet

Output

None

Previous topic

Python Library Documentation

Next topic

ChemicalShiftBasic

This Page