Primary Workflow

The primary building blocks of an analysis

Connecting to Data and Standards

Operations for starting an analyssis

process_mzroll()

Process mzRoll

process_mzroll_multi()

Process mzroll multi

Processing and Normalization

Operations which modify the working data

normalize_peaks() normalize_peaks_median_polish() normalize_peaks_loading_value() normalize_peaks_batch_center() normalize_peaks_reference_sample() normalize_peaks_reference_condition() normalize_peaks_loess()

Normalize Peaks

floor_peaks()

Floor Peaks

collapse_injections()

Collapse Injections

filter_groupIds()

Filter GroupIds

Statistics

Finding metabolites/lipids with interesting patterns of variability

diffex_mzroll()

Differential Expression Analysis on Mzroll List

Plotting

plot_barplot()

Plot Barplots

plot_compare_injection()

Compare Injections

plot_pvalues()

P-value Histogram

plot_volcano()

Volcano plot

Export

Advanced Methods

These methods are compatible with the standard workflow but have syntax which is too tricky for many users

Dev Tools

Functions used behind the scenes

Sample Sheets

Data Structures

aggregate_mzroll_nest()

Aggregate mzroll lists

test_mzroll_list()

Test MzRoll List

Utils

aggregate_mzroll_nest()

Aggregate mzroll lists

calculate_pathway_enrichment_fisher()

Calculate Pathway Enrichments with a Fisher-Exact tests

calculate_pathway_enrichment_gsea()

Calculate Pathway Enrichments using GSEA

calicomics

claman package

collapse_injections()

Collapse Injections

collapse_metabolites()

Collapse Metabolites

create_sqlite_con()

Create SQLite Connection

diffex_mzroll()

Differential Expression Analysis on Mzroll List

filter_groupIds()

Filter GroupIds

find_pathway_enrichments()

Find Pathway Enrichments

floor_peaks()

Floor Peaks

lipid_components()

Generate relevant lipid components from compound name

merge_compounds_tbl()

Merge Compounds Table

merge_samples_tbl()

Merge Samples Table

normalize_peaks() normalize_peaks_median_polish() normalize_peaks_loading_value() normalize_peaks_batch_center() normalize_peaks_reference_sample() normalize_peaks_reference_condition() normalize_peaks_loess()

Normalize Peaks

nplug_compounds

NPLUG samples

nplug_mzroll()

Growth-Limiting Metabolites

nplug_mzroll_augmented

NPLUG MzRoll Augmented

nplug_mzroll_normalized

NPLUG MzRoll Normalized

nplug_samples

NPLUG samples

plot_barplot()

Plot Barplots

plot_compare_injection()

Compare Injections

plot_pvalues()

P-value Histogram

plot_volcano()

Volcano plot

process_mzroll()

Process mzRoll

process_mzroll_identify_peakgroups()

Process MzRoll - Identify Peakgroups

process_mzroll_load_peakgroups()

Process MzRoll - Load Peakgroups

process_mzroll_multi()

Process mzroll multi

process_mzroll_validate_peakgroups()

Process MzRoll - Validate Peakgroups

remove_constant_name()

Remove Constant Name

test_mzroll_list()

Test MzRoll List

util_pretty_khead()

Util - Pretty Knitr Head