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。
Quality control for flow, spectral, and mass cytometry - time-based anomaly cleaning (flowAI, flowCut, PeacoQC, flowClean), margin/boundary event removal, signal-drift detection, dead-cell exclusion, CyTOF Gaussian/DNA/event-length checks, instrument calibration/standardization (MESF, CS&T, peak-2), and batch-level outlier flagging. Use when assessing acquisition quality, choosing a cleaning tool, ordering QC relative to compensation, deciding margin removal before density-based steps, or flagging problematic samples before clustering or differential analysis.
インストールする前に、エージェントに与えられる指示の中身を確認できます。
Reference examples tested with: flowAI 1.32+, PeacoQC 1.12+, flowCore 2.14+, flowDensity 1.36+, CATALYST 1.26+.
Before using code patterns, verify installed versions match. If versions differ:
packageVersion('<pkg>') then ?function_name to verify parametersCounterintuitive defaults to confirm: flowAI checks are FR/FS/FM (FM = dynamic range, not "flow"); PeacoQC MAD/IT_limit are LESS strict when HIGHER. Verify with ?flow_auto_qc and ?PeacoQC before tuning.
"Run quality control on my cytometry data" -> Detect and remove acquisition artifacts (flow-rate instability, signal drift, margin events, dead cells, CyTOF doublets) on the Time axis, then flag outlier samples.
flowAI::flow_auto_qc(), PeacoQC::PeacoQC() (+ RemoveMargins())CATALYST::normCytof() beads + Gaussian/DNA/event-length gatingNearly every acquisition artifact - clogs, bubbles, flow-rate surges, electronics warm-up, CyTOF sensitivity decay, oxide buildup - manifests as a CHANGE IN SIGNAL versus the Time channel. flowAI, flowCut, flowClean, and PeacoQC are all, at heart, Time-vs-signal anomaly detectors; a missing or mis-scaled $TIMESTEP silently degrades or breaks all of them. Just as important is the ORDER: compensation/unmixing -> transform -> margin removal -> time-based QC -> debris/doublet/dead-cell gating -> batch normalization. Margin (boundary) events piled at a detector min/max form spurious high-density ridges that fool density-based cleaning and density gates, so they must be stripped BEFORE any density step; and time-based QC on untransformed data misbehaves because the density structure the algorithms rely on lives on the transformed scale.
| Tool | Citation | Mechanism | When to use / caveat |
|---|---|---|---|
| flowAI | Monaco 2016 Bioinformatics 32:2473 | 3 checks: flow rate (FR), signal acquisition (FS), dynamic range (FM) | classic; known AGGRESSIVE - can remove normal data |
| PeacoQC | Emmaneel 2022 Cytometry A 101:325 | per-channel density peaks + MAD + isolation tree | only tool validated across flow + mass + spectral; QC engine of CytoPipeline |
| flowCut | Meskas 2023 Cytometry A 103:71 | segments Time, removes low-density/deviant segments | less aggressive than flowAI; flags whole files |
| flowClean | Fletez-Brant 2016 Cytometry A 89:461 | tracks subset frequency in centered-log-ratio space | floor ~30,000 events; writes a "GoodVsBad" parameter to gate on |
Goal: Auto-clean a sample for flow-rate, signal-acquisition, and dynamic-range anomalies.
Approach: flow_auto_qc() returns a flowFrame of high-quality events when output=1; FM is the dynamic-range check; supply timeCh for concatenated/clock-reset files. flowAI is the time-based QC step - run it after compensation/transform/margin removal (per the ordering above), not on a raw uncompensated frame.
library(flowAI)
ff_clean <- flow_auto_qc(ff,
remove_from = 'all', # FR + FS + FM
output = 1, # 1 = HQ events only; 2 = add QC param; 3 = bad-event IDs
ChExcludeFS = c('FSC', 'SSC'), # scatter excluded from the signal check
second_fractionFR = 0.1,
folder_results = 'qc_output')
cat('kept', nrow(ff_clean), 'of', nrow(ff), 'events\n')
Goal: Remove boundary events, then clean unstable time/peak structure across all channels.
Approach: RemoveMargins() strips detector-min/max events; then PeacoQC() - remember higher MAD/IT_limit = LESS strict.
library(PeacoQC)
ff_nm <- RemoveMargins(ff, channels = c('FSC-A', 'SSC-A')) # do this BEFORE density QC
res <- PeacoQC(ff_nm, channels = marker_channels,
MAD = 6, IT_limit = 0.55, # defaults; higher = less strict (counterintuitive)
save_fcs = FALSE, plot = TRUE)
ff_clean <- res$FinalFF
Goal: Exclude dead cells, detect per-channel drift, and apply CyTOF-specific gates.
Approach: Viability dye threshold (bimodal); per-time-bin median slope for drift; for CyTOF use DNA intercalator + Gaussian/event-length; EQ-bead-median-vs-Time is the primary CyTOF drift readout (see bead-normalization).
expr <- exprs(ff)
# dead cells take up more viability dye -> cut at the bimodal density VALLEY (data-driven), not a fixed quantile
dead_cut <- flowDensity::deGate(ff, channel = 'Live_Dead')
live <- expr[, 'Live_Dead'] < dead_cut
# CyTOF single-cell gates
if ('Event_length' %in% colnames(expr)) {
keep <- expr[, 'Event_length'] >= 10 & expr[, 'Event_length'] <= 75 # confirm range per instrument
}
dna <- grep('Ir191|Ir193', colnames(expr), value = TRUE) # intercalator-positive = nucleated
A discovery analyst often skips this, but cross-experiment/cross-site MFI comparison is meaningless without it (Maecker & Trotter 2006 Cytometry A 69:1037):
Goal: Flag samples whose event count, flow stability, or marker medians deviate from the batch.
Approach: Per-file metrics + MAD-based bounds; track an anchor/reference sample if present.
qc <- do.call(rbind, lapply(fcs_files, function(f) {
ff <- read.FCS(f); e <- exprs(ff)
data.frame(file = basename(f), events = nrow(ff),
med_signal = median(apply(e, 2, median)))
}))
qc$outlier <- abs(qc$events - median(qc$events)) > 3 * mad(qc$events)
Trigger: PeacoQC/flowClean before RemoveMargins. Mechanism: axis pile-ups are false high-density ridges. Symptom: real events removed near the boundary, or margins kept. Fix: remove margins first.
Trigger: default flowAI on a low-rate or short acquisition. Mechanism: FR check flags normal slow segments. Symptom: large unexplained event loss. Fix: raise second_fractionFR; inspect the HTML report; consider flowCut/PeacoQC.
Trigger: running QC on raw linear values. Mechanism: high-intensity tail dominates density. Symptom: misplaced anomaly calls. Fix: compensate + transform first.
Trigger: concatenated files, some sorters. Mechanism: no usable Time. Symptom: flow-rate check fails or is meaningless. Fix: timeCh= or reconstruct; otherwise skip time-based checks.
| Threshold | Source | Rationale |
|---|---|---|
| flowClean floor ~30,000 events | Fletez-Brant 2016 Cytometry A 89:461 | below this the CLR frequency tracking under-detects |
PeacoQC MAD=6, IT_limit=0.55 | Emmaneel 2022 Cytometry A 101:325 | defaults; HIGHER = less strict |
| dead cells > ~10-30% | community | sample-handling flag, not a hard cutoff - report, don't auto-exclude the sample |
| CyTOF retune ~ daily / per long run | instrument practice (flagged) | sensitivity decays from cone fouling/plasma drift |
| Error / symptom | Cause | Solution |
|---|---|---|
flow_auto_qc returns unexpected object | assuming $fcs/report list | output=1 returns a flowFrame; set output explicitly |
| margins not removed by PeacoQC | expecting it built-in | call RemoveMargins() separately, first |
| tuning MAD up removes more | sign confusion | higher MAD/IT_limit = LESS strict |
| flowClean output unchanged | it appends a parameter | gate on the "GoodVsBad" column |
まだレビューはありません。使ってみた感想をお寄せください。
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。