The sample data is stored in a list consisting of two
data.frames: a sequence table (seq) and a sample
table (samples).
The sequence table contains gas-chromatography/mass spectrometry measurement data of two phenolic compounds, these are tyrosol and vanillin. Besides the samples, standard mixtures and extraction blanks were acquired in three separate analysis batches. Each measurement resulted in an integrated peak area.
The sample table describes the samples' origin from a 29-day degradation experiment, in which the phenolic compounds were either degraded in the dark by the native soil microbial community or photooxidized under UV irradiation. The samples were processed in threefold replication. Their weight [g], the volume [mL] of extract solution, and the dilution factor were recorded.
A list containing two data.frames.
seq is a data frame with 160 rows and 6 columns with information on:
name of the phenolic compound
sample type
number of the extraction batch
sample name
integrated peak area
specified/nominal concentration [mg/L] of standards
samples is a data frame with 42 rows and 9 columns with information
on:
sample name; same as in seq
day of the incubation experiment
lighting conditions of the sample (dark/UV)
if the sample was sterilized prior incubation
treatment name (Biogradation/Photooxidation)
replicate number
sample weight [g]
extract volume [mL]
dilution factor
Zacharias Steinmetz
Steinmetz, Z., Kurtz, M.P., Zubrod, J.P., Meyer, A.H., Elsner, M., & Schaumann, G.E. (2019) Biodegradation and photooxidation of phenolic compounds in soil—A compound-specific stable isotope approach. Chemosphere 230, 210-218. DOI: tools:::Rd_expr_doi("10.1016/j.chemosphere.2019.05.030").
Other calibration:
calibration(),
din32645,
icp,
matrix_effect(),
neitzel2003,
weight_select()