Man pages for Smith-Group/fitnmr
FitNMR multidimensional spectrum analysis
| abind_list | Combine multi-dimensional arrays with lists |
| collapse_na | Collapse strings of repeated NAs in a vector with numeric... |
| collapse_na_array | Collapse blocks of NAs in an array with numeric dimension... |
| comb_vec_to_param_array | Determine array of destination parameters from a source... |
| contour_pipe | Plot Spectra Contours |
| coupling_param_idx | Get a list of logical arrays indicating which parameters... |
| extract_params | Extract parameters from fit object for use with... |
| fit_footprint | Determine the region of a spectrum containing the majority of... |
| fitnmr | fitnmr Package Overview |
| fit_peak_cluster | Fit a cluster nearby peaks starting from a seed table of... |
| fit_peak_iter | Iterative Peak Fitting |
| fit_peaks | Fit peaks from a table of chemical shifts |
| get_spec_int | Get arrays of spectral intensities for input, starting... |
| get_spec_peak_int | Get spectra for individual peaks |
| height_assign | Calculate mapping from assigned peak list onto an unknown... |
| infer_acquisition_time | Infer acquisition time for each dimension |
| infer_aliasing | Infer which dimension was directly acquired |
| infer_direct | Infer which dimension was directly acquired |
| infer_sweep_width | Infer original sweep width for each dimension |
| limit_omega0_by_r2 | Add upper/lower limits based on the r2 value |
| make_coupling_mat | Make a multiplet matrix with weights and scalar coupling... |
| make_fit_input | Prepare input data structure for peak fitting |
| make_map | Create a sparse axis |
| make_param_list | Make a parameter list for a set of spectra and chemical... |
| nmr_pipe | Process an FID with NMRPipe |
| noise_estimate | Estimate Noise |
| omega0_comb_source_idx | Get the first index in the omega0 array corresponding to each... |
| omega0_param_idx | Get a list of logical arrays indicating which parameters... |
| param_array_to_comb_vec | Determine vector of source parameters from destination array... |
| param_list_to_arg_list | Convert a list of parameters for use with make_fit_input |
| param_list_to_peak_df | Convert Fit to Data Frame |
| param_list_to_tables | Convert a parameter list into a set of tables with... |
| param_values | Get/set a subset of fitting parameters specified by a list of... |
| peak_bind | Combine parameter lists referring to different peaks |
| peak_df_to_fit_input | Convert a peak data frame to fit input |
| peak_df_to_param_list | Convert a peak data frame to a parameter list |
| perform_fit | Perform a fit with an input data structure |
| plot_fit_1d | Plot a one dimensional peak fit |
| plot_fit_2d | Plot a two dimensional peak fit |
| plot_peak_df | Plot Peaks from a Peak Table |
| plot_resonances_1d | Plot resonances from 1D fit |
| plot_resonances_2d | Plot resonances from 2D fit |
| plot_resonances_3d | Plot resonances from 3D fit |
| plot_sparse_1d | Plot spectrum from 1D fit |
| plot_sparse_2d | Plot spectrum from 2D fit |
| ppm_to_pts | Convert PPM values to points |
| read_nmrdraw_peak_tab | Read an NMRDraw formatted peak table |
| read_nmrpipe | Read NMRPipe spectrum |
| resonance_to_param_list | Convert data frame of resonances into a parameter list |
| sim_time_nd | Simulate an FID using the NMRPipe SimTimeND function |
| spec_bind | Combine parameter lists referring to different spectra |
| spec_overlap_mat | Determine a matrix of fractional peak overlap |
| split_coupling_names | Split string of scalar coupling names |
| tables_to_param_list | Convert tables with resonance/nuclei/couplings to a parameter... |
| update_fit_bounds | Update bounds on fitting parameters |
| whz_to_pts | Convert widths in Hz into points |
| write_nmrdraw_peak_tab | Write an NMRDraw formatted peak table |
