Injectiondesign: web service of plate design with optimized stratified block randomization for modern GC/LC-MS-based sample preparation

BMC Bioinformatics. 2023 Dec 20;24(1):489. doi: 10.1186/s12859-023-05598-1.

Abstract

Background: Plate design is a necessary and time-consuming operation for GC/LC-MS-based sample preparation. The implementation of the inter-batch balancing algorithm and the intra-batch randomization algorithm can have a significant impact on the final results. For researchers without programming skills, a stable and efficient online service for plate design is necessary.

Results: Here we describe InjectionDesign, a free online plate design service focused on GC/LC-MS-based multi-omics experiment design. It offers the ability to separate the position design from the sequence design, making the output more compatible with the requirements of a modern mass spectrometer-based laboratory. In addition, it has implemented an optimized block randomization algorithm, which can be better applied to sample stratification with block randomization for an unbalanced distribution. It is easy to use, with built-in support for common instrument models and quick export to a worksheet.

Conclusions: InjectionDesign is an open-source project based on Java. Researchers can get the source code for the project from Github: https://github.com/CSi-Studio/InjectionDesign . A free web service is also provided: http://www.injection.design .

Keywords: Block randomization; InjectionDesign; Mass spectrometry; Metabolomics; Plate design; Stratified balancing; Web service.

MeSH terms

  • Chromatography, Liquid
  • Liquid Chromatography-Mass Spectrometry*
  • Random Allocation
  • Software
  • Tandem Mass Spectrometry*