correct_peaks

Corrects retention time differences using parametric time warping as 
implemented in <code>ptw</code>.

Tools for high-throughput analysis of HPLC-DAD/UV
chromatograms (or similar data). Includes functions for preprocessing, alignment,
peak-finding and fitting, peak-table construction, data-visualization, etc.
Preprocessing and peak-table construction follow the rough formula laid out
in alsace (Wehrens, R., Bloemberg, T.G., and Eilers P.H.C., 2015.
<doi:10.1093/bioinformatics/btv299>. Alignment of chromatograms is available
using parametric time warping (ptw) (Wehrens, R., Bloemberg, T.G., and Eilers
P.H.C. 2015. <doi:10.1093/bioinformatics/btv299>) or variable penalty dynamic
time warping (VPdtw) (Clifford, D., & Stone, G. 2012. <doi:10.18637/jss.v047.i08>).
Peak-finding uses the algorithm by Tom O'Haver
<http://terpconnect.umd.edu/~toh/spectrum/PeakFindingandMeasurement.htm>.
Peaks are then fitted to a gaussian or exponential-gaussian hybrid peak shape
using non-linear least squares (Lan, K. & Jorgenson, J. W. 2001.
<doi:10.1016/S0021-9673(01)00594-5>). See the vignette for more details and
suggested workflow.

Ethan Bass

chromatographR

Chromatographic Data Analysis Toolset

correct_peaks function

<dl><dt>peak_list</dt>
<dd>A nested list of peak tables: the first level is the sample,
and the second level is the component. Every component is described by a
matrix where every row is one peak, and the columns contain information on
retention time, full width at half maximum (FWHM), peak width, height, and
area.</dd>
<dt>mod_list</dt>
<dd>A list of ptw models.</dd></dl>

Arguments

Author

Correct peak positions according to a ptw warping model — correct_peaks

<dl>

<dt>peak_list</dt>
<dd>A nested list of peak tables: the first level is the sample,
and the second level is the component. Every component is described by a
matrix where every row is one peak, and the columns contain information on
retention time, full width at half maximum (FWHM), peak width, height, and
area.</dd>


<dt>mod_list</dt>
<dd>A list of ptw models.</dd>

</dl>

correct_peaks: Correct peak positions according to a ptw warping model

Description

Usage

Value

Arguments

Author

Details

See Also