LipidJaguar

WORKFLOW

Welcome

Data upload

Data imputation

Analysis overview

Visualization

PCA

PLS / OPLS

Trajectory PCA

Trend analysis

Machine learning

Explainable AI

Project Overview

Session settings

Parameter help

LipidJaguar parameter guide

How GUI controls map to Python calls, what they change, and how to interpret the output. Checked against LipidJaguar 0.1.0 on 2026-09-22. The linked scikit-learn 1.8 documentation explains the underlying estimators; LipidJaguar's defaults and restrictions below take precedence. Not every scikit-learn option is exposed in this application.

Select a section to compare GUI controls with Python parameters and see examples.

Start here

Use this order: import and review sample metadata → inspect missingness → explicitly impute if needed → normalize/transform/scale → explore → test hypotheses or evaluate a predictive model. Save a derived dataset when you want later pages to use the transformed matrix.

Run applies the current controls. Changing an input does not update an existing plot until you run again. Cached view/style actions do not refit analysis. The optional Code for this plot panel records the applied inputs and settings, not pending edits.

Name in PythonMeaning
raw_data_dfThe matrix supplied to the function: lipid IDs on rows, sample IDs on columns. It may already be processed; the name does not request automatic preprocessing.
sample_metadata_dfOne row per sample, identified by sample_id; contains groups, subjects, batch or injection order.
lipid_metadata_dfLipid annotations identified by lipid_id, such as lipid_class.
pca_params_dct, biomarker_params_dctDictionaries of named settings for the corresponding plotting workflow.
selected_lipid_ids_lst, lipid_ids_lstLists of lipid identifiers, not row positions.
lipid_sets_dctSet names mapped to lists of lipid IDs, for enrichment.
color_profileA lipidjaguar.plotting.ColorProfile containing colors, symbols and rendering settings.

_df, _dct, and _lst mean DataFrame, dictionary, and list. Names ending in _params without _dct refer to typed configuration objects. Pydantic validates configuration types and rejects unknown fields. Python uses True, False, None; REST JSON uses true, false, null. Historical keywords such as matrix, samples, config, and selected_ids remain aliases, but do not supply both names together.

Most metadata APIs expect a sample_id column. The differential-analysis function specifically takes sample_metadata_df.set_index("sample_id"). Never align groups merely by the visible row order. Scikit-learn itself usually expects samples × features; LipidJaguar performs the necessary transpose internally.

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