Description Usage Arguments Author(s)
View source: R/preproc_utils.R
This function sets the parameters for peak annotation.
1 2 3 4 5 6 7 8 9 | SetAnnotationParam(
polarity = "positive",
perc_fwhm = 0.6,
mz_abs_iso = 0.005,
max_charge = 2,
max_iso = 2,
corr_eic_th = 0.85,
mz_abs_add = 0.001
)
|
polarity |
Character, specify the polarity of the MS instrument. Either "negative" or "positive". |
perc_fwhm |
Numeric, set the percentage of the width of the FWHM for peak grouping. Default is set to 0.6. |
mz_abs_iso |
Numeric, set the allowed variance for the search (for isotope annotation). The default is set to 0.005. |
max_charge |
Numeric, set the maximum number of the isotope charge. For example, the default is 2, therefore the max isotope charge is 2+/-. |
max_iso |
Numeric, set the maximum number of isotope peaks. For example, the default is 2, therefore the max number of isotopes per peaks is 2. |
corr_eic_th |
Numeric, set the threshold for intensity correlations across samples. Default is set to 0.85. |
mz_abs_add |
Numeric, set the allowed variance for the search (for adduct annotation). The default is set to 0.001. |
Jasmine Chong jasmine.chong@mail.mcgill.ca, Mai Yamamoto yamamoto.mai@mail.mcgill.ca, and Jeff Xia jeff.xia@mcgill.ca McGill University, Canada License: GNU GPL (>= 2)
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