Nest the cycle data resulting from previous computations steps.
nest_cycle_data(
.data,
...,
masses = c(44:49, 54),
ratios = c(paste0("s", masses), paste0("r", masses)),
outlier_cycles = c(paste0("outlier_cycle_", c("low_s44", "low_r44", "high_s44",
"high_r44", "drop_s44", "drop_r44", "s44", "r44")), "outlier_cycle"),
outliers = "outlier",
cycle_drop = paste0("cycle_", c("diff_s44", "diff_r44", "drop_s44", "drop_r44",
"drop_num_s44", "drop_num_r44", "has_drop_s44", "has_drop_r44")),
bgs = c(paste0("s44_bg", masses[!masses %in% c(44, 54)]), paste0("r44_bg",
masses[!masses %in% c(44, 54)])),
bg_corrected = paste0(ratios[!ratios %in% c("s44", "r44", "r54", "s54")], "_bg"),
Rs = c("R45", "R46", "R47", "R48", "R49", "R45_wg", "R46_wg", "R47_wg", "R48_wg",
"R49_wg", "R13_wg", "R18_wg", "R17", "R18", "R13"),
deltas = c("d13C_PDB", "d18O_PDBCO2", "d18O_PDB", "d45", "d46", "d47", "d48", "d49"),
isotopes = c("C12", "C13", "C16", "C17", "C18", "C626", "C627", "C628", "C636", "C637",
"C638", "C727", "C728", "C737", "C738", "C828", "C838"),
params = c("K", "A", "B", "C", "D", "aa", "bb", "cc"),
stochastic = c("R45_stoch", "R46_stoch", "R47_stoch", "R48_stoch", "R49_stoch"),
flags = c("R45_flag", "R46_flag"),
Deltas = c("D45_raw", "D46_raw", "D47_raw", "D48_raw", "D49_raw"),
p49 = "param_49",
quiet = NULL
)
A tibble resulting from bulk_and_clumping_deltas()
.
Additional chacter vectors to nest by.
The masses that are present in the mass spectrometer. Defaults to 44:49 and 54.
Ratio columns, based on masses.
Columns with outlier_cycle information.
Other outlier-related columns.
Columns related to detecing cycle drops.
Backgrounds.
Background-corrected raw intensities per cup.
R values.
delta values.
C values.
Taylor polynomial parameters.
Stochastic R values.
Flag columns.
Big delta values.
Param 49.
If TRUE
, print info messages. If NULL
(default) listens to options(clumpedr.quiet)
A summary of .data,
The parameters are all strings with column names. They default to all the columns that have cycle information based on previous computation steps.