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Apache Parquet-based Mass Spectrometry Data Backend2 days ago
Introduction | Relation to other Spectra backends | Installation | Creating a Parquet dataset | Accessing data | Filtering | Working with peaks | Controlling the dataset layout | Querying collections of mzPeak archives | How the dataset interfaces with mzPeak's model | Searching for peaks across runs | Sample metadata | The in-memory metadata cache | Streaming large mzML files | Performance | Saving and reloading the backend | Session information
Easy-to-use, intuitive, and efficient LC-MS data plotting with lcmsPlot21 days ago
Introduction | Objectives | Installation | Load data | Samples summary | The entry point to plot | Plot base peak chromatogram (BPC) | Plot total ion chromatogram (TIC) | Plot averaged ion chromatogram (AIC) | Total ion current | Intensity maps | Plot chromatograms | Quality control of peak detection | Chromatographic peak counts across the run | Peak boundaries in the m/z and retention time plane | Plot retention time alignment effect | Plot grouped peaks across samples (features) | Plot peak density alongside chromatograms | Plot chromatograms with mass traces | Plot chromatograms from raw files | Plot spectra | Select closest scan to a specified RT | Select scan closest to a detected peak apex | Select multiple scans across a detected peak | Plot standalone spectra | Interoperability | Compound Discoverer | Compound Discoverer scripting node | MZmine | MS-DIAL | LipidSearch | Session Info
Creating publication-ready LC-MS data plots9 months ago
Installation | Load data | Overview of the data | Custom themes | Session Info