Dataset Information

ProbPS: a new model for peak selection based on quantifying the dependence of the existence of derivative peaks on primary ion intensity.

ABSTRACT:

Background

The analysis of mass spectra suggests that the existence of derivative peaks is strongly dependent on the intensity of the primary peaks. Peak selection from tandem mass spectrum is used to filter out noise and contaminant peaks. It is widely accepted that a valid primary peak tends to have high intensity and is accompanied by derivative peaks, including isotopic peaks, neutral loss peaks, and complementary peaks. Existing models for peak selection ignore the dependence between the existence of the derivative peaks and the intensity of the primary peaks. Simple models for peak selection assume that these two attributes are independent; however, this assumption is contrary to real data and prone to error.

Results

In this paper, we present a statistical model to quantitatively measure the dependence of the derivative peak's existence on the primary peak's intensity. Here, we propose a statistical model, named ProbPS, to capture the dependence in a quantitative manner and describe a statistical model for peak selection. Our results show that the quantitative understanding can successfully guide the peak selection process. By comparing ProbPS with AuDeNS we demonstrate the advantages of our method in both filtering out noise peaks and in improving de novo identification. In addition, we present a tag identification approach based on our peak selection method. Our results, using a test data set, suggest that our tag identification method (876 correct tags in 1000 spectra) outperforms PepNovoTag (790 correct tags in 1000 spectra).

Conclusions

We have shown that ProbPS improves the accuracy of peak selection which further enhances the performance of de novo sequencing and tag identification. Thus, our model saves valuable computation time and improving the accuracy of the results.

SUBMITTER: Zhang S

PROVIDER: S-EPMC3179969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:[1] The information contained in hyetographs and hydrographs is often synthesized by using key properties such as the peak or maximum value Xp , volume V, duration D, and average intensity I. These variables play a fundamental role in hydrologic engineering as they are used, for instance, to define design hyetographs and hydrographs as well as to model and simulate the rainfall and streamflow processes. Given their inherent variability and the empirical evidence of the presence of a significant degree of association, such quantities have been studied as correlated random variables suitable to be modeled by multivariate joint distribution functions. The advent of copulas in geosciences simplified the inference procedures allowing for splitting the analysis of the marginal distributions and the study of the so-called dependence structure or copula. However, the attention paid to the modeling task has overlooked a more thorough study of the true nature and origin of the relationships that link [Formula: see text], and I. In this study, we apply a set of ad hoc bootstrap algorithms to investigate these aspects by analyzing the hyetographs and hydrographs extracted from 282 daily rainfall series from central eastern Europe, three 5 min rainfall series from central Italy, 80 daily streamflow series from the continental United States, and two sets of 200 simulated universal multifractal time series. Our results show that all the pairwise dependence structures between [Formula: see text], and I exhibit some key properties that can be reproduced by simple bootstrap algorithms that rely on a standard univariate resampling without resort to multivariate techniques. Therefore, the strong similarities between the observed dependence structures and the agreement between the observed and bootstrap samples suggest the existence of a numerical generating mechanism based on the superposition of the effects of sampling data at finite time steps and the process of summing realizations of independent random variables over random durations. We also show that the pairwise dependence structures are weakly dependent on the internal patterns of the hyetographs and hydrographs, meaning that the temporal evolution of the rainfall and runoff events marginally influences the mutual relationships of [Formula: see text], and I. Finally, our findings point out that subtle and often overlooked deterministic relationships between the properties of the event hyetographs and hydrographs exist. Confusing these relationships with genuine stochastic relationships can lead to an incorrect application of multivariate distributions and copulas and to misleading results.