Mass spectrometry (MS) uses mass-to-charge ratios of measured particles to decode the identities and quantities of molecules in a sample. Interpretation of raw MS depends upon data processing algorithms that render it human-interpretable. Quantitative MS workflows are complex experimental chains and it is crucial to know the performance and bias of each data processing method as they impact accuracy, coverage, and statistical significance of the result. Creation of the ground truth necessary for quantitatively evaluating MS1-aware algorithms is difficult and tedious task, and better software for creating such datasets would facilitate more extensive evaluation and improvement of MS data processing algorithms. We present JS-MS 2.0, a software suite that provides a dependency-free, browser-based, one click, cross-platform solution for creating MS1 ground truth. The software retains the first version’s capacity for loading, viewing, and navigating MS1 data in 2- and 3-D, and adds tools for capturing, editing, saving, and viewing isotopic envelope and extracted isotopic chromatogram features. The software can also be used to view and explore the results of feature finding algorithms. JS-MS 2.0 enables faster creation and inspection of MS1 ground truth data. It is publicly available with an MIT license at github.com/optimusmoose/jsms.

中文翻译：

---

基于Web的系统，用于创建，查看和编辑前体质谱仪地面真实数据

质谱（MS）使用被测颗粒的质荷比来解码样品中分子的身份和数量。原始MS的解释取决于使之易于理解的数据处理算法。MS定量工作流是复杂的实验链，了解每种数据处理方法的性能和偏差至关重要，因为它们会影响结果的准确性，覆盖范围和统计意义。创建定量评估MS1感知算法所需的基本事实是一项艰巨而繁琐的任务，而用于创建此类数据集的更好软件将有助于更广泛地评估和改进MS数据处理算法。我们介绍了JS-MS 2.0，这是一个软件套件，可提供无依赖项，基于浏览器的一键式，用于创建MS1基本事实的跨平台解决方案。该软件保留了第一个版本以2-D和3-D格式加载，查看和导航MS1数据的功能，并添加了用于捕获，编辑，保存和查看同位素包络和提取的同位素色谱图功能的工具。该软件还可用于查看和探索特征查找算法的结果。JS-MS 2.0可以更快地创建和检查MS1地面真实数据。它可以通过MIT许可证在github.com/optimusmoose/jsms上公开获得。该软件还可用于查看和探索特征查找算法的结果。JS-MS 2.0可以更快地创建和检查MS1地面真实数据。它可以通过MIT许可证在github.com/optimusmoose/jsms上公开获得。该软件还可用于查看和探索特征查找算法的结果。JS-MS 2.0可以更快地创建和检查MS1地面真实数据。它可以通过MIT许可证在github.com/optimusmoose/jsms上公开获得。