Metabolomics Platform, IISPV, DEEEA, Universitat Rovira i Virgili, Campus Sescelades, Carretera de Valls, s/n, 43007, Tarragona, Spain.
Intensive Care Unit, Joan XXIII University Hospital, IISPV, Carrer Dr. Mallafrè Guasch, 4, 43005, Tarragona, Spain.
Metabolomics. 2018 Jan 31;14(3):24. doi: 10.1007/s11306-018-1319-y.
Adoption of automatic profiling tools for H-NMR-based metabolomic studies still lags behind other approaches in the absence of the flexibility and interactivity necessary to adapt to the properties of study data sets of complex matrices.
To provide an open source tool that fully integrates these needs and enables the reproducibility of the profiling process.
rDolphin incorporates novel techniques to optimize exploratory analysis, metabolite identification, and validation of profiling output quality.
The information and quality achieved in two public datasets of complex matrices are maximized.
rDolphin is an open-source R package ( http://github.com/danielcanueto/rDolphin ) able to provide the best balance between accuracy, reproducibility and ease of use.
在缺乏必要的灵活性和交互性以适应复杂基质研究数据集特性的情况下，基于 H-NMR 的代谢组学研究中自动分析工具的采用仍然落后于其他方法。
提供一个完全满足这些需求的开源工具，并实现分析过程的可重复性。
rDolphin 集成了新颖的技术，可优化探索性分析、代谢物鉴定和分析结果质量验证。
最大化了两个复杂基质公共数据集的信息和质量。
rDolphin 是一个开源的 R 包（http://github.com/danielcanueto/rDolphin），能够在准确性、可重复性和易用性之间提供最佳平衡。
