FTICR MS data for standards and mixtures for quantitative peak intensity investigation

This upload contains raw (Bruker .d format) FTICR mass spectrometry data (direct infusion, negative mode ESI) for standards in different mixtures and matrices for the purposes of investigating the (non)quantitative nature of the data. Processed data (Excel format), and Python scripts used for data processing are also included. Note - the Python scripts used CoreMS version prior to V2.0 for analysis - to re-run these scripts with a more recent release likely requires syntax updates.本上传文件包含原始的布鲁克.d格式（Bruker .d format）傅里叶变换离子回旋共振质谱（Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, FTICR-MS）数据，该数据集涵盖不同混合物与基质中的标准品样本，采用直接进样、负模式电喷雾电离（Electrospray Ionization, ESI）方式采集，旨在探究该数据的（非）定量特性。此外，文件中还包含处理后的数据（Excel格式）以及用于数据处理的Python脚本。 注意：本数据处理所用的Python脚本基于V2.0之前版本的CoreMS开发；若使用更新版本的CoreMS重新运行这些脚本，大概率需要对代码语法进行调整。