Run comparison groups — run_comparison

This function takes a dataframe of groups and parameters and runs an entire qSIP2 EAF workflow for each group.

Usage

run_comparison_groups(
  groups,
  qsip_data_object,
  allow_failures = NULL,
  seed = NULL,
  resamples = NULL
)

groups: A dataframe containing group, unlabeled, labeled, and other optional columns
qsip_data_object: A qsip_data object
allow_failures: Whether to allow failures in the filtering step. Sets for all groups.
seed: The seed for the resampling. Sets for all groups.
resamples: The number of resamples to run. Sets for all groups.

The heart of this function is the group dataframe, which should contain the following columns:

group (required): a unique identifier for each group. This can be short, or a descriptive string describing the group
unlabeled (required): a comma-separated list of source_mat_ids for the unlabeled isotope. Optionally, you can use terms such as "unlabeled" or "12C" to use all source_mat_ids with that isotope designation
labeled (required): a comma-separated list of source_mat_ids for the labeled isotope

Additionally, other optional columns can be included in the dataframe to set per group parameters:

min_unlabeled_sources: the minimum number of unlabeled sources required for each fraction
min_labeled_sources: the minimum number of labeled sources required for each fraction
min_unlabeled_fractions: the minimum number of unlabeled fractions required for each source
min_labeled_fractions: the minimum number of labeled fractions required for each source
allow_failures: whether to allow failures in the filtering step
resamples: the number of resamples to run
seed: the seed for the resampling

The last three in the list can also be added as optional parameters, and these will override any values in the groups dataframe.