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Aerith19 days ago
Abstract | Introduction | Vignette contents | Input Data Format | PSM annotation and visualization | Simulation and visualization of isotopic envelopes for metabolites | Simulation and visualization of isotopic envelopes for peptides | Score functions for PSM evaluation | Visualization of SIP proteomic result | S4 classes in Aerith
Input Data Format and File Handling in Aerith19 days ago
Overview | What Makes Aerith Unique | Data Format Overview | File Format Conversion | Converting Raw Files to Supported Formats | Working with FT1 and FT2 Files | Reading MS1 and MS2 Scan Data | Creating Subset Files for Testing and Development | Working with mzML Files | Working with MGF Files | Processing Peptide Identification Results | Reading pepXML Files | Working with Sipros Output Files | Reading PSM Files from Sipros | Quality Control and Data Visualization | Total Ion Current (TIC) Analysis | Instrument Performance Analysis | Advanced Precursor Analysis | Summary | Key Strengths of Aerith: | Best Practices Summary:
PSM Annotation and Visualization19 days ago
Introduction | Overview of PSM Annotation | Advantages of Aerith | Analysis of Unlabeled PSM at Natural ^13^C Abundance (1.07%) | Fragment Ion Annotation at MS2 Level | Interactive PSM Annotation Visualization | Comprehensive Fragment Analysis with Theoretical Overlays | Precursor Ion Analysis at MS1 Level | Analysis of Heavily Labeled PSM at 50% ^13^C Incorporation | Fragment Ion Annotation in Labeled Samples | Visualization of Heavy Labeling Effects | Theoretical vs Observed Fragment Comparison in Heavy Labeling | Precursor Analysis Under Heavy Labeling Conditions | High-Throughput Batch Processing of PSMs | Automated Batch Analysis Workflow | Summary and Best Practices | Key Takeaways | Parameter Selection Guidelines
Score function test of PSM19 days ago
Overview of scoring functions | Unlabeled PSM at 1.07% ^13^C | Labeled PSM at 50% ^13^C | Annotate B and Y ion fragments | Guidance on parameter selection and interpretation | Why Aerith stands out
Theoretic spectra generation of SIP-labeled compound19 days ago
Overview | Monte Carlo method | FFT-based algorithm | Summary
Theoretic spectra generation of SIP-labeled peptide19 days ago
Overview | Compiled parameters and atom sources | Unlabeled Spectra | Get precursor mass | Plot precursor's theoretical spectra | Get peptide fragments' mass | Plot peptide fragments' theoretical spectra | Labeled Spectra
Visualization of SIP proteomic result19 days ago
Overview of SIP Percent Summaries | Summarize SIP percent for PSMs | Visualizing SIP Percent Distributions | Plot the distribution of SIP percent for PSMs | Why Aerith Fits Modern SIP Proteomics