生成图文并茂的分析报告/实验报告/质检报告(固定模版)。当用户要求"生成报告/总结报告/实验报告/质检报告/QC报告",或分析流程收尾需要交付报告时使用。报告必须基于真实分析输出,包含固定章节结构、关键指标表格和真实结果图。
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Differential abundance (DA) and differential state (DS) analysis for flow and mass cytometry - tests which cell populations change in frequency or marker expression between conditions using diffcyt (edgeR/voom/GLMM for DA, limma/LMM for DS), with cydar, CITRUS, and compositional methods (sccomp, scCODA, DCATS) as alternatives. Covers the sample-is-the-experimental-unit principle, design/contrast and mixed-model formulas, compositionality of cluster proportions, and FDR across clusters. Use when comparing populations between groups, choosing a DA method, handling paired/batch designs, or deciding whether compositional correction is needed.
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Reference examples tested with: diffcyt 1.22+, CATALYST 1.26+, edgeR 4.0+, limma 3.58+.
Before using code patterns, verify installed versions match. If versions differ:
packageVersion('<pkg>') then ?function_name to verify parameterstestDA_edgeR/testDS_limma are diffcyt functions operating on count/median objects from calcCounts/calcMedians; the CATALYST-integrated path is the diffcyt() wrapper on the SCE. Confirm the signature with ?diffcyt before relying on it.
"Compare cell populations between my conditions" -> Test cluster frequencies (DA) and within-cluster marker expression (DS) between groups, with the sample (not the cell) as the unit.
diffcyt::diffcyt(sce, analysis_type='DA', method_DA='diffcyt-DA-edgeR', design, contrast)diffcyt(sce, analysis_type='DS', method_DS='diffcyt-DS-limma', ...)Tens of thousands of cells from one donor are technical PSEUDOREPLICATES, not independent observations. A per-cell test (Wilcoxon across all cells) treats them as n = cells and produces astronomically significant p-values from two mice - it is the single most common statistical sin in modern cytometry (Hurlbert 1984 Ecol Monogr 54:187; the cytometry mirror of the scRNA-seq pseudobulk lesson). The correct unit is the SAMPLE/subject: diffcyt aggregates cells to PER-SAMPLE-PER-CLUSTER counts (DA) and PER-SAMPLE-PER-CLUSTER arcsinh-MEDIANS (DS), then tests across samples with edgeR/limma/GLMM (Weber 2019 Commun Biol 2:183). Biological replication is mandatory (>= 2-3 per group); DA from a single sample per condition has no valid test. Paired with this: cluster proportions are COMPOSITIONAL (they sum to 1), so a real increase in one population mechanically forces apparent depletion in others - a source of false DA in "unchanged" clusters.
| Method | Citation | Mechanism | When to use |
|---|---|---|---|
| diffcyt-DA-edgeR / voom | Weber 2019 Commun Biol 2:183 | edgeR/voom empirical-Bayes on per-sample counts; optional TMM | standard 2+ group with replicates (DEFAULT) |
| diffcyt-DA-GLMM / DS-LMM | Weber 2019 | random effects in the formula | paired/repeated-measures/nested (subject random effect) |
| cydar | Lun 2017 Nat Methods 14:707 | overlapping hyperspheres + edgeR + spatial FDR | continuum, avoid hard clusters |
| CITRUS | Bruggner 2014 PNAS 111:E2770 | hierarchical clustering + LASSO | predictive signature, LARGE n; correlated-not-causal; largely superseded |
| sccomp / scCODA / DCATS | Mangiola 2023 PNAS 120:e2203828120 / Buttner 2021 Nat Commun 12:6876 / Lin 2023 Genome Biol 24:151 | simplex-aware compositional models | strong compositional shift (one pop dominates); DCATS for assignment uncertainty |
Goal: Test abundance and state on a CATALYST-clustered SCE.
Approach: Build design + contrast from ei(sce); the diffcyt() wrapper uses the stored clustering. State markers are tested in DS, type markers define DA clusters.
library(CATALYST); library(diffcyt)
sce <- readRDS('sce_clustered.rds')
design <- createDesignMatrix(ei(sce), cols_design = 'condition')
contrast <- createContrast(c(0, 1)) # Treatment vs Control
res_DA <- diffcyt(sce, clustering_to_use = 'meta20',
analysis_type = 'DA', method_DA = 'diffcyt-DA-edgeR',
design = design, contrast = contrast)
res_DS <- diffcyt(sce, clustering_to_use = 'meta20',
analysis_type = 'DS', method_DS = 'diffcyt-DS-limma',
design = design, contrast = contrast)
library(SummarizedExperiment)
rowData(res_DA$res) # cluster_id, logFC, p_val, p_adj (BH across clusters)
Goal: Account for within-subject correlation (e.g. pre/post on the same donor).
Approach: Use a GLMM/LMM method with a random effect for subject via a formula.
formula <- createFormula(ei(sce), cols_fixed = 'condition', cols_random = 'patient_id')
res_DA <- diffcyt(sce, clustering_to_use = 'meta20',
analysis_type = 'DA', method_DA = 'diffcyt-DA-GLMM',
formula = formula, contrast = createContrast(c(0, 1)))
Goal: Confirm a headline single-population shift is not inducing artifactual reciprocal depletion.
Approach: Re-test with a simplex-aware model when one cluster changes a lot or total yield differs by group.
# If a dominant population expands, the apparent depletion of others may be a simplex artifact.
# Re-test with sccomp / scCODA (reference cell type) / DCATS (assignment uncertainty)
# before reporting reciprocal depletion as independent biology.
Trigger: Wilcoxon/t-test across all cells. Mechanism: cells aren't independent. Symptom: p ~ 1e-40 from few subjects. Fix: aggregate to per-sample summaries (diffcyt).
Trigger: one population expands strongly. Mechanism: proportions sum to 1. Symptom: significant "depletion" of unrelated clusters. Fix: TMM only when total cell abundance is NOT itself the biological signal (else it removes real signal), or a compositional method (sccomp/scCODA/DCATS); report total-yield differences.
Trigger: normalizing batch out then testing naively. Mechanism: over-correction removes real signal. Symptom: attenuated effects. Fix: include batch in the design; if batch == condition, no rescue - design it out.
Trigger: 1 sample per condition. Mechanism: no error term. Symptom: uninterpretable p. Fix: require >= 2-3 biological replicates per group.
| Threshold | Source | Rationale |
|---|---|---|
| >= 2-3 biological replicates per group | Weber 2019 | minimum for a valid DA/DS error term |
| BH FDR across clusters (and clusters x markers for DS) | diffcyt | high-resolution grids have many tests |
| arcsinh median as DS statistic | Nowicka 2017 | robust per-cluster per-sample summary |
| Error / symptom | Cause | Solution |
|---|---|---|
testDA_edgeR(sce, ...) fails | wrong signature | use the diffcyt() wrapper on the SCE, or calcCounts first |
| results empty | wrong clustering_to_use name | match the stored clustering id (e.g. meta20) |
| no DS results | state markers not flagged | set marker_class='state' in the panel |
| paired design ignored | used fixed-effect method | use diffcyt-DA-GLMM with a random effect |
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概要と使いどころ
生成图文并茂的分析报告/实验报告/质检报告(固定模版)。当用户要求"生成报告/总结报告/实验报告/质检报告/QC报告",或分析流程收尾需要交付报告时使用。报告必须基于真实分析输出,包含固定章节结构、关键指标表格和真实结果图。
日本語の概要は準備中です。原文の説明を表示しています。
Predicts ADMET properties using ADMETlab 3.0 (119 endpoints with uncertainty), ADMET-AI, DeepChem MolNet, and chemprop D-MPNN with explicit handling of OECD QSAR principles, applicability domain assessment, calibration, hERG/CYP/AMES gold-standard endpoints, and PAINS / Lipinski / Ro5 / Veber / BBB druglikeness filters. Use when filtering compounds for drug-likeness, prioritizing leads by predicted safety, or building an in-house ADMET QSAR model.
日本語の概要は準備中です。原文の説明を表示しています。
Trim PCR primers from aligned reads in amplicon-panel BAMs using samtools ampliconclip. Use when processing SARS-CoV-2 ARTIC, hereditary cancer panels, ctDNA hot-spot panels, or any amplicon assay where primer-derived bases would falsely confirm reference at primer footprints.
日本語の概要は準備中です。原文の説明を表示しています。
Filter alignments by flags, mapping quality, and regions using samtools view and pysam. Use when extracting specific reads, removing low-quality alignments, or subsetting to target regions.
日本語の概要は準備中です。原文の説明を表示しています。
Create and use BAI/CSI indices for BAM/CRAM files using samtools and pysam. Use when enabling random access to alignment files or fetching specific genomic regions.
日本語の概要は準備中です。原文の説明を表示しています。
Read, write, and convert multiple sequence alignment files using Biopython Bio.AlignIO. Supports Clustal, PHYLIP, Stockholm, FASTA, Nexus, and other alignment formats for phylogenetics and conservation analysis. Use when reading, writing, or converting alignment file formats.
日本語の概要は準備中です。原文の説明を表示しています。