Quetzal: Comprehensive Peptide Fragmentation Annotation and Visualization.

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Tác giả: Eric W Deutsch, Luis Mendoza, Robert L Moritz

Ngôn ngữ: eng

Ký hiệu phân loại: 261.834 Christian attitudes toward social groups

Thông tin xuất bản: United States : Journal of proteome research , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 725995

Proteomics data-dependent acquisition data sets collected with high-resolution mass-spectrometry (MS) can achieve very high-quality results, but nearly every analysis yields results that are thresholded at some accepted false discovery rate, meaning that a substantial number of results are incorrect. For study conclusions that rely on a small number of peptide-spectrum matches being correct, it is thus important to examine at least some crucial spectra to ensure that they are not one of the incorrect identifications. We present Quetzal, a peptide fragment ion spectrum annotation tool to assist researchers in annotating and examining such spectra to ensure that they correctly support study conclusions. We describe how Quetzal annotates spectra using the new Human Proteome Organization (HUPO) Proteomics Standards Initiative (PSI) mzPAF standard for fragment ion peak annotation, including the Python-based code, a web-service end point that provides annotation services, and a web-based application for annotating spectra and producing publication-quality figures. We illustrate its functionality with several annotated spectra of varying complexity. Quetzal provides easily accessible functionality that can assist in the effort to ensure and demonstrate that crucial spectra support study conclusions. Quetzal is publicly available at https://proteomecentral.proteomexchange.org/quetzal/.
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