CCWeights: an R package and web application for automated evaluation and selection of weighting factors for accurate quantification using linear calibration curve

Yonghui Dong; Tal Wachsman; Liat Morgan; Ehud Gazit; Rune Isak Dupont Birkler

doi:10.1093/bioadv/vbab029

CCWeights: an R package and web application for automated evaluation and selection of weighting factors for accurate quantification using linear calibration curve

Bioinform Adv. 2021 Oct 28;1(1):vbab029. doi: 10.1093/bioadv/vbab029. eCollection 2021.

Authors

Yonghui Dong¹, Tal Wachsman¹, Liat Morgan¹, Ehud Gazit¹, Rune Isak Dupont Birkler¹

Affiliation

¹ Blavatnik Center for Drug Design, Tel Aviv University, Tel Aviv 69978, Israel.

Abstract

Summary: The accuracy of any analytical method is highly dependent on the selection of an appropriate calibration model. Here, we present CCWeights, an R package for automated assessment and selection of weighting factors for accurate quantification using linear calibration curve. Additionally, CCWeights includes a web application that allows users to analyze their data using an interactive graphical user interface, without any programming requirements. The workflow and features of CCWeights are illustrated by the analyses of two datasets acquired by liquid chromatography-mass spectrometry (LC-MS). The resulting quantification table can be directly utilized for further model assessment and subsequent data analysis.

Availability and implementation: CCWeights is publicly available on CRAN repository (https://cran.r-project.org/web/packages/CCWeights), with source code available on GitHub (https://github.com/YonghuiDong/CCWeights) under a GPL-3 license. The web application can be run locally from R console using a simple command "runGui()". Alternatively, the web application can be freely accessed for direct online use at https://bcdd.shinyapps.io/CCWeights/.

Supplementary information: Supplementary data are available at Bioinformatics Advances online.