Search results for "Data dependent"
showing 4 items of 4 documents
Comparing Targeted vs. Untargeted MS2 Data-Dependent Acquisition for Peak Annotation in LC-MS Metabolomics
2020
One of the most widely used strategies for metabolite annotation in untargeted LCMS is based on the analysis of MSn spectra acquired using data-dependent acquisition (DDA), where precursor ions are sequentially selected from MS scans based on user-selected criteria. However, the number of MSn spectra that can be acquired during a chromatogram is limited and a trade-off between analytical speed, sensitivity and coverage must be ensured. In this research, we compare four different strategies for automated MS2 DDA, which can be easily implemented in the frame of standard QA/QC workflows for untargeted LC&ndash
LipidMS: An R Package for Lipid Annotation in Untargeted Liquid Chromatography-Data Independent Acquisition-Mass Spectrometry Lipidomics.
2018
High resolution LC-MS untargeted lipidomics using data independent acquisition (DIA) has the potential to increase lipidome coverage, as it enables the continuous and unbiased acquisition of all eluting ions. However, the loss of the link between the precursor and the product ions combined with the high dimensionality of DIA data sets hinder accurate feature annotation. Here, we present LipidMS, an R package aimed to confidently identify lipid species in untargeted LC-DIA-MS. To this end, LipidMS combines a coelution score, which links precursor and fragment ions with fragmentation and intensity rules. Depending on the MS evidence reached by the identification function survey, LipidMS provi…
Feasibility of finite and infinite paths in data dependent programs
2005
This paper considers the feasibility of finite and infinite paths in programs in two simple programming languages. The language LBASE allows to express the dependencies of real time systems on integer data, the language LTIM can model quantitative timing constraints in r.t.s. specifications. It is proven that the problem of whether a given LBASE or LTIM program has an infinite feasible path (i.e. whether it can exhibit an infinite behaviour) is decidable. The possibilities to characterise the sets of all feasible finite and infinite paths in LBASE and LTIM programs are also discussed. The infinite feasible path existence problem is proven decidable also for the language LTIBA which has both…