Man pages for ssokolen/rnmrfit
Robust NMR Lineshape Fitting in the Frequency Domain
| acqus | Access the "acqus" slot of an NRMData object |
| acqus-set | Replace the "acqus" slot of an NMRData object |
| all_columns | Output all columns of "peaks" data.frame |
| apodize_exponential | Apply exponential apodization function |
| apodize_gaussian | Apply Gaussian apodization function |
| apodize_signal | Apply apodization function |
| apodize_sine | Apply sine apodization function |
| apodize_sine2 | Apply sine squared apodization function |
| apodize_trapezoid | Apply trapezoid apodization function |
| as.data.frame.NMRData | Convert NMRData object to data.frame |
| as.list.NMRData | Convert NMRData object to list |
| baseline | Access the "baseline" slot of an NRMScaffold object |
| baseline_difference | Access the "baseline_difference" slot of an NRMScaffold... |
| baseline_difference-set | Replace the "baseline_difference" slot of an NMRScaffold... |
| baseline_knots | Access the "knots" slot of an NRMScaffold object |
| baseline_knots-set | Replace the "knots" slot of an NMRScaffold object |
| baseline-set | Replace the "baseline" slot of an NMRScaffold object |
| bounds | Access the "bounds" slot of an NRMScaffold object |
| bounds-set | Replace the "bounds" slot of an NMRScaffold object |
| calc_area | Calculate the areas of each peak |
| calc_baseline | Calculate baseline |
| calc_lineshape | Calculate lineshape |
| check_data | Check NMRData availability |
| check_syntax | A convenience function for coupling syntax error messages. |
| constraints | Access the "constraints" slot of an NRMScaffold object |
| constraints-set | Replace the "constraints" slot of an NMRScaffold object |
| corr_antiecho | Decode echo-antiecho signals |
| corr_group_delay | Correct Bruker group delay artefact |
| data_columns | Output columns of "peaks" data.frame that correspond to peak... |
| drop_bounds | Drop bounds if they don't conform to parent object |
| f_baseline | Generate baseline function |
| fft_signal | Fourier tranform signal data |
| fft_spectrum | Fourier tranform intensity data |
| filter_1d | Filter 1D chemical shift data by selecting specific regions |
| fit.env | Fit proto class |
| flatten_jcamp | Flatten JCAMP list file |
| f_lineshape | Generate lineshape function |
| gen_parameters | Generate a combined vector from individual parameters |
| get_parameter | Get parameter from NMRData1D object |
| height_columns | Output peak height related columns of "peaks" data.frame |
| initialize_bounds | Initialize empty set of bounds |
| is_conformant | Check whether NMRScaffold objects conform |
| lower_bounds | Access the "lower_bounds" slot of an NRMScaffold object |
| lower_bounds-set | Replace the "lower_bounds" slot of an NMRScaffold object |
| merge_parameters | Copy individual parameters to combined vector |
| methodEllipse | Inherited ellipses description |
| nmr.chol | An example NMRData1D object The data comes from analysis of a... |
| nmr.chol.apod | An example NMRData1D object The data comes from analysis of a... |
| nmr.chol.bad | An example NMRData1D object The data comes from analysis of a... |
| nmrdata | Access the "nmrdata" slot of an NRMScaffold object |
| nmrdata_1d | Constructor for generating an NMRData1D object |
| NMRData1D-class | A class combining NMR data and scan parameters |
| NMRData-class | Super class combining NMR data and scan parameters. |
| nmrdata-set | Replace the "nmrdata" slot of an NMRScaffold object |
| nmrfit_1d | Fit an NMRScaffold1d object to a set of data |
| NMRFit1D-class | A class representing a set of NMR peaks as well as a set of... |
| nmrscaffold_1d | Generate an NMRScaffold1D object based on simplified peak... |
| NMRScaffold1D-class | A class representing a set of NMR peaks and their... |
| NMRScaffold-class | Super class defining an NMR lineshape. |
| normalized | Access the "normalized" slot of an NRMScaffold object |
| normalized-set | Replace the "normalized" slot of an NMRScaffold object |
| parameters | Access the "parameters" slot of an NRMData object |
| parameters-set | Replace the "parameters" slot of an NMRData object |
| parse_coupling | Parse coupling strings |
| peaks | Access the "peaks" slot of an NRMScaffold object |
| peaks-set | Replace the "peaks" slot of an NMRScaffold object |
| peak_type | Access the "peak_type" slot of an NRMScaffold object |
| peak_type-set | Replace the "peak_type" slot of an NMRScaffold object |
| peak_units | Access the "peak_units" slot of an NRMScaffold object |
| peak_units-set | Replace the "peak_units" slot of an NMRScaffold object |
| phase | Access the "phase" slot of an NRMScaffold object |
| phase-set | Replace the "phase" slot of an NMRScaffold object |
| phase_signal | Correct signal phase |
| phase_spectrum | Correct spectrum phase |
| plot.NMRData1D | Plot NMRData1D object |
| plot.NMRFit1D | Plot NMRFit1D object |
| position_columns | Output peak position related columns of "peaks" data.frame |
| processed | Access the "processed" slot of an NRMData object |
| processed-set | Replace the "processed" slot of an NMRData object |
| process_jcamp | Process imported JCAMP data |
| process_jcamp_entry | Process JCAMP entry |
| process_jcamp_tag | Process JCAMP tag |
| procs | Access the "procs" slot of an NRMData object |
| procs-set | Replace the "procs" slot of an NMRData object |
| propagate_to_bounds | Propagate function to bounds |
| read_acqus_1d | Read 1D Bruker acqus parameters |
| read_acqus_2d | Read 2D Bruker acqu2s parameters |
| read_acqus_dir | Read Bruker acqus parameters |
| read_acqus_file | Read Bruker acqus parameters |
| read_jcamp | Import data from generic JCAMP file |
| read_processed_1d | Read 1D Bruker 1r/1i files |
| read_processed_2d | Read 2D Bruker rr/ri/ir/ii files |
| read_procs_1d | Read 1D Bruker acqus parameters |
| read_procs_2d | Read 2D Bruker proc2s parameters |
| read_procs_dir | Read Bruker procs parameters |
| read_procs_file | Read Bruker procs parameters |
| read_signal_1d | Read 1D Bruker fid file |
| read_signal_2d | Read 2D Bruker ser file |
| safe_read | Safely read data from file |
| set_absolute_bounds | Set absolute bounds on an NMRScaffold1D or NMRScaffold2D... |
| set_conservative_bounds | Set conservative bounds on an NMRScaffold1D or NMRScaffold2D... |
| set_convolution | Set convolution applied to processed data |
| set_normalized | Normalize or undo normalization of a NMRScaffold1D or... |
| set_peak_type | Convert an NMRScaffold1D or NMRScaffold2D object to a... |
| set_peak_units | Switch NMRScaffold1D or NMRScaffold2D parameter units between... |
| set_relative_bounds | Set relative bounds on an NMRScaffold1D or NMRScaffold2D... |
| show | Display NMRData1D object |
| show-NMRScaffold1D-method | Display NMRScaffold1D object |
| split_coupling | Generate splitting pattern based on coupling numbers and... |
| spread_parameters | Copy combined vector to individual parameters |
| status | Access the "status" slot of an NRMScaffold object |
| status_message | Access the "status_message" slot of an NRMScaffold object |
| upper_bounds | Access the "upper_bounds" slot of an NRMScaffold object |
| upper_bounds-set | Replace the "upper_bounds" slot of an NMRScaffold object |
| validate_param | Validate and extract acqus/procs parameters |
| validNMRScaffold | Generic NRMScaffold validity test |
| validNMRScaffold1D | NMRScaffold1D validity test |
| validNMRScaffoldBaseline | Validation function for baseline component of NMRScaffold |
| validNMRScaffoldPhase | Validation function for phase component of NMRScaffold |
| which_approx | Find the indeces of closest matching values |
| which_approx_2d | Find the indeces of closest matching values within a matrix |
| width_columns | Output peak width related columns of "peaks" data.frame |
| zero_fill | Zero-fill signal |
