Lab_26_SOP - Concordant inter-laboratory derived concentrations of ceramides in human plasma reference materials via authentic standards

Lab_26_SOP - Concordant inter-laboratory derived concentrations of ceramides in human plasma reference materials via authentic standards - mzML files
This dataset is part of the ILS Ceramide Ring Trial. The suffix 'SOP' indicates that the results were obtained using the recommended and standard operating procedure protocol to prepare and measure all samples, while the suffix 'OTHER' indicates that the corresponding lab prepared and measured the samples according to their own internal protocol. Please check the corresponding mapping file 'ILS-Ceramide-Ring-Trial-Datasets.csv' in the ILS Ceramide Ring Trial record for a mapping of the originally submitted lab reports and the final lab number as reported in the manuscript.
All reports together with the code for analysis and visualization, reproducing the figures in the manuscript, are available under the following doi: https://zenodo.org/doi/10.5281/zenodo.10081970. This links to releases of the following GitHub repository: https://github.com/lifs-tools/ils-ceramide-ring-trial. The archived version of the lab reports, workflow source code and manuscript visualizations are also available here.
Please note that most datasets have been acquired in MRM mode, such that the msconvert conversion to mzML has stored the MRM data in the chromatogram part of the mzML files.
The msconvert Docker container (Proteowizard release: 3.0.24172 (63d00b1), build date Jun 202 2024 20:01:14) was used with the native vendor libraries / peak picking for conversion, using default arguments. m/z values were encoded with 64 bit (default), while intensity values were encoded with 32 bit (default). All binary data was zlib-compressed.

Lab_26_SOP：基于认证标准品的人血浆参考样本中神经酰胺（ceramides）的实验室间一致性浓度测定结果——mzML文件

本数据集隶属于ILS神经酰胺环试验（ILS Ceramide Ring Trial）。其中后缀“SOP”表示实验结果系按照推荐标准操作规程（Standard Operating Procedure, SOP）制备并检测全部样本所得；而后缀“OTHER”则代表对应实验室采用其内部流程完成样本制备与检测。请查阅ILS神经酰胺环试验记录中的映射文件"ILS-Ceramide-Ring-Trial-Datasets.csv"，以获取原始提交的实验室报告与稿件中标注的最终实验室编号的对应关系。

所有报告、用于复现稿件中图表的分析与可视化代码，均可通过以下DOI获取：https://zenodo.org/doi/10.5281/zenodo.10081970。该链接指向以下GitHub仓库的发布版本：https://github.com/lifs-tools/ils-ceramide-ring-trial。实验室报告、工作流源代码及稿件可视化内容的存档版本亦可在此处获取。

请注意，多数数据集采用多反应监测（Multiple Reaction Monitoring, MRM）模式采集，因此经msconvert转换生成的mzML文件已将MRM数据存储于文件的色谱图部分。本次转换使用了msconvert Docker容器（Proteowizard版本：3.0.24172 (63d00b1)，构建日期为2024年6月2日20:01:14），并采用原生厂商库及峰拾取功能，以默认参数运行。质荷比（m/z）值采用64位编码（默认设置），强度值采用32位编码（默认设置）。所有二进制数据均经过zlib压缩。