Man pages for ssokolen/rnmrfit
Robust NMR Lineshape Fitting in the Frequency Domain

acqusAccess the "acqus" of an NRMData object
acqus-setReplace the "acqus" of an NMRData object
all_columnsOutput all columns of "peaks" data.frame
apodize_exponentialApply exponential apodization function
apodize_gaussianApply Gaussian apodization function
apodize_signalApply apodization function
apodize_sineApply sine apodization function
apodize_sine2Apply sine squared apodization function
apodize_trapezoidApply trapezoid apodization function
as.data.frame.NMRDataConvert NMRData object to data.frame
as.list.NMRDataConvert NMRData object to list
baselineAccess the "baseline" of an NRMScaffold object
baseline_differenceAccess the "baseline_difference" of an NRMScaffold object
baseline_difference-setReplace the "baseline_difference" of an NMRScaffold object
baseline_knotsAccess the "knots" of an NRMScaffold object
baseline_knots-setReplace the "knots" of an NMRScaffold object
baseline-setReplace the "baseline" of an NMRScaffold object
boundsAccess the "bounds" of an NRMScaffold object
bounds-setReplace the "bounds" of an NMRScaffold object
calc_areaCalculate the areas of each peak
calc_baselineCalculate baseline
calc_lineshapeCalculate lineshape
check_dataCheck NMRData availability
check_syntaxA convenience function for coupling syntax error messages.
constraintsAccess the "constraints" of an NRMScaffold object
constraints-setReplace the "constraints" of an NMRScaffold object
corr_antiechoDecode echo-antiecho signals
corr_group_delayCorrect Bruker group delay artefact
data_columnsOutput columns of "peaks" data.frame that correspond to peak...
drop_boundsDrop bounds if they don't conform to parent object
f_baselineGenerate baseline function
fft_signalFourier tranform signal data
fft_spectrumFourier tranform intensity data
filter_1dFilter 1D chemical shift data by selecting specific regions
fit.envFit proto class
flatten_jcampFlatten JCAMP list file
f_lineshapeGenerate lineshape function
gen_parametersGenerate a combined vector from individual parameters
height_columnsOutput peak height related columns of "peaks" data.frame
is_conformantCheck whether NMRScaffold objects conform
lower_boundsAccess the "lower_bounds" of an NRMScaffold object
lower_bounds-setReplace the "lower_bounds" of an NMRScaffold object
merge_parametersCopy individual parameters to combined vector
methodEllipseInherited ellipses description
nmr.cholAn example NMRData1D object The data comes from analysis of a...
nmr.chol.apodAn example NMRData1D object The data comes from analysis of a...
nmr.chol.badAn example NMRData1D object The data comes from analysis of a...
nmrdataAccess the "nmrdata" of an NRMScaffold object
nmrdata_1dConstructor for generating an NMRData1D object
NMRData1D-classA class combining NMR data and scan parameters
NMRData-classSuper class combining NMR data and scan parameters.
nmrdata-setReplace the "nmrdata" of an NMRScaffold object
nmrfit_1dFit an NMRScaffold1d object to a set of data
NMRFit1D-classA class representing a set of NMR peaks as well as a set of...
nmrscaffold_1dGenerate an NMRScaffold1D object based on simplified peak...
NMRScaffold1D-classA class representing a set of NMR peaks and their...
NMRScaffold-classSuper class defining an NMR lineshape.
normalizedAccess the "normalized" of an NRMScaffold object
normalized-setReplace the "normalized" slot of an NMRScaffold object
parse_couplingParse coupling strings
peaksAccess the "peaks" of an NRMScaffold object
peaks-setReplace the "peaks" of an NMRScaffold object
peak_typeAccess the "peak_type" of an NRMScaffold object
peak_type-setReplace the "peak_type" slot of an NMRScaffold object
peak_unitsAccess the "peak_units" of an NRMScaffold object
peak_units-setReplace the "peak_units" slot of an NMRScaffold object
phaseAccess the "phase" of an NRMScaffold object
phase-setReplace the "phase" of an NMRScaffold object
phase_signalCorrect signal phase
phase_spectrumCorrect spectrum phase
plot.NMRData1DPlot NMRData1D object
plot.NMRFit1DPlot NMRFit1D object
position_columnsOutput peak position related columns of "peaks" data.frame
processedAccess the "processed" of an NRMData object
processed-setReplace the "processed" of an NMRData object
process_jcampProcess imported JCAMP data
process_jcamp_entryProcess JCAMP entry
process_jcamp_tagProcess JCAMP tag
procsAccess the "procs" of an NRMData object
procs-setReplace the "procs" of an NMRData object
propagate_to_boundsPropagate function to bounds
read_acqus_1dRead 1D Bruker acqus parameters
read_acqus_2dRead 2D Bruker acqu2s parameters
read_acqus_dirRead Bruker acqus parameters
read_acqus_fileRead Bruker acqus parameters
read_jcampImport data from generic JCAMP file
read_processed_1dRead 1D Bruker 1r/1i files
read_processed_2dRead 2D Bruker rr/ri/ir/ii files
read_procs_1dRead 1D Bruker acqus parameters
read_procs_2dRead 2D Bruker proc2s parameters
read_procs_dirRead Bruker procs parameters
read_procs_fileRead Bruker procs parameters
read_signal_1dRead 1D Bruker fid file
read_signal_2dRead 2D Bruker ser file
safe_readSafely read data from file
set_conservative_boundsSet conservative bounds on an NMRScaffold1D or NMRScaffold2D...
set_convolutionSet convolution applied to processed data
set_normalizedNormalize or undo normalization of a NMRScaffold1D or...
set_peak_typeConvert an NMRScaffold1D or NMRScaffold2D object to a...
set_peak_unitsSwitch NMRScaffold1D or NMRScaffold2D parameter units between...
show-NMRData1D-methodDisplay NMRData1D object
show-NMRScaffold1D-methodDisplay NMRScaffold1D object
split_couplingGenerate splitting pattern based on coupling numbers and...
spread_parametersCopy combined vector to individual parameters
statusAccess the "status" of an NRMScaffold object
status_messageAccess the "status_message" of an NRMScaffold object
upper_boundsAccess the "upper_bounds" of an NRMScaffold object
upper_bounds-setReplace the "upper_bounds" of an NMRScaffold object
validate_paramValidate and extract acqus/procs parameters
validNMRScaffoldGeneric NRMScaffold validity test
validNMRScaffold1DNMRScaffold1D validity test
validNMRScaffoldBaselineValidation function for baseline component of NMRScaffold
validNMRScaffoldPhaseValidation function for phase component of NMRScaffold
which_approxFind the indeces of closest matching values
which_approx_2dFind the indeces of closest matching values within a matrix
width_columnsOutput peak width related columns of "peaks" data.frame
zero_fillZero-fill signal
ssokolen/rnmrfit documentation built on Nov. 23, 2018, 12:25 a.m.