obiAdjust_Rtime: Retention Time Correction

In sipss/NIHSlcms: Signal processing of LC-MS metabolomics

Description

Retention time correction is performed using 'obiwarp' method.

Usage

obiAdjust_Rtime(peakdet, params)

Arguments

peakdet	A lcms_dataset with detected peaks obtained from the find_peaks_cwp function.
params	A converted parameters template from IPO parameters.

Details

Note: signal processing generally consists in three main steps: (1) peak detection (find_peaks_cwp function), (2) peak alignment (obiAdjust_Rtime function) and (3) peak correspondence (IPO_group_peaks function). The optimized set of parameters for this signal preprocessing can be obatained from IPO Package.

Value

A lcms_dataset with (1) detected (find_peaks_cwp function). and (2) aligned (obiAdjust_Rtime function) peaks

See Also

Other dataset functions: IPO_group_peaks(), find_peaks_cwp(), lcms_dataset_load(), lcms_dataset_save(), lcms_fill_chrom_peaks(), lcms_filter_mz(), lcms_filter_polarity(), lcms_filter_rt_min(), lcms_filter_sample_type(), lcms_meta_add(), lcms_meta_export(), lcms_plot_chrom_peak_image(), lcms_plot_tics(), lcms_rearrange_datafiles_by_class(), lcms_retention_time_alignment_plot(), lcms_tics(), peakpicking_optimization(), phData()

Other retention time correction functions: lcms_retention_time_alignment_plot()

Examples

## Not run: 
file_name <-  system.file("extdata", "peakdet.rds", package = "AlpsLCMS")
peakdet <- base::readRDS(file_name)
opt_result_path <-  system.file("extdata", package = "AlpsLCMS")
preproc_params <- lcms_read_ipo_to_xcms(opt_result_path)

peakdet_align <- obiAdjust_Rtime(peakdet, params = preproc_params)
print(peakdet_align)

## End(Not run)

sipss/NIHSlcms documentation built on May 13, 2021, 6:19 p.m.