Gradual Pressure Error in an HPLC-HRMS Measurement Run

This dataset contains files of a reverse-phase HPLC-HRMS orbitrap measurement run during which the pump pressure gradually got more unstable. While a run was being recorded, the pump for the organic eluent ceased functioning slowly. This resulted in a high amount of new signals appearing in the form of "stripes" at specific retention times. It is intended as a control group for assigned data quality scores, with the reasoning that a highly unstable pressure in the chromatography will lead to more purely noise-induced signals. The relevant pressure profiles are also included. The mzML files were produced from the raw data using MSconvert and only contain the MS1 spectra. The last file in the series (20240805_AA_DK_Ibu_pH6_1min_20240808161549) remains incomplete since the instrument shut off halfway through the measurement.本数据集包含反相高效液相色谱-高分辨质谱轨道阱（reverse-phase HPLC-HRMS Orbitrap）检测运行产生的文件，本次运行过程中泵压逐渐变得不稳定。在数据采集过程中，有机流动相泵逐渐停机，这导致在特定保留时间（retention time）处出现大量呈"条纹"状的新信号。本数据集被设计为已标注数据质量评分的对照组，其设计依据为：色谱系统中极高的压力不稳定性会催生更多纯粹由噪声引发的信号。相关压力变化图谱亦随数据集一同提供。本数据集内的mzML格式文件均通过MSconvert由原始数据转换而来，且仅包含一级质谱（MS1 spectra）。本序列中的最后一个文件（20240805_AA_DK_Ibu_pH6_1min_20240808161549）并未完整生成，因为检测过程中途仪器发生停机。