attach_metadata

Attaches experimental metadata to `peak_table` object. One of the columns in
the supplied metadata must match exactly the row names of the peak table.

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

attach_metadata function

<dl><dt>peak_table</dt>
<dd>A `peak_table` object.</dd>
<dt>metadata</dt>
<dd>A `data.frame` containing the sample meta-data.</dd>
<dt>column</dt>
<dd>The name of the column containing the sample names.</dd></dl>

Arguments

Author

Attach experimental metadata — attach_metadata

<dl>

<dt>peak_table</dt>
<dd>A `peak_table` object.</dd>


<dt>metadata</dt>
<dd>A `data.frame` containing the sample meta-data.</dd>


<dt>column</dt>
<dd>The name of the column containing the sample names.</dd>

</dl>

attach_metadata: Attach experimental metadata

Description

Usage

Value

Arguments

Author

See Also

Examples