R-code for ‘GCalignR: An R package for aligning Gas-Chromatography data for ecological and evolutionary studies’

Meinolf Ottensmann, Martin A. Stoffel, Hazel J. Nichols and Joseph I. Hoffman

• R_code.pdf contains the code for all analyses. In addition, we provide our datafiles in the folder called data, which should be placed in a subfolder of the working directory in order to repeat analyses.

data

This folder contains raw data and results of our analysis. The raw data files are listed below.

• bbim.txt contains the raw chemical dataset of the bumblebee Bombus bimaculatus formatted for GCalingR. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S1

• bbim_ms.txt contains an aligned subset of the raw chemical dataset of the bumblebee Bombus bimaculatus based on peaks that were identified by GC-MS. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S4

• beph.txt contains the raw chemical dataset of the bumblebee Bombus ephippiatus formatted for GCalingR. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S1

• beph_ms.txt contains an aligned subset of the raw chemical dataset of the bumblebee Bombus ephippiatus based on peaks that were identified by GC-MS. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S4

• bfla.txt contains the raw chemical dataset of the bumblebee Bombus flavifrons formatted for GCalingR. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S1

• bfla_ms.txt contains an aligned subset of the raw chemical dataset of the bumblebee Bombus flavifrons based on peaks that were identified by GC-MS. The orignal data source can be reached here Dellicour & Lecocq 2013, Table_S4

• earwig.txt contains a raw chemical dataset of European earwig Forficula auricularia formatted for GCalignR. The original data source can be reached here Wong et al. 2014, Data for DRYAD.xlsx

R

• Contains custom scripts that were used for some of the computations.

Reference

Ottensmann M, Stoffel MA, Nichols HJ, Hoffman JI (2018) GCalignR: An R package for aligning gas-chromatography data for ecological and evolutionary studies. PLoS ONE 13(6): e0198311. https://doi.org/10.1371/journal.pone.0198311