Dataset Information

MSstatsQC: Longitudinal System Suitability Monitoring and Quality Control for Targeted Proteomic Experiments.

ABSTRACT: Selected Reaction Monitoring (SRM) is a powerful tool for targeted detection and quantification of peptides in complex matrices. An important objective of SRM is to obtain peptide quantifications that are (1) suitable for the investigation, and (2) reproducible across laboratories and runs. The first objective is achieved by system suitability tests (SST), which verify that mass spectrometric instrumentation performs as specified. The second objective is achieved by quality control (QC), which provides in-process quality assurance of the sample profile. A common aspect of SST and QC is the longitudinal nature of the data. Although SST and QC have received a lot of attention in the proteomic community, the currently used statistical methods are limited. This manuscript improves upon the statistical methodology for SST and QC that is currently used in proteomics. It adapts the modern methods of longitudinal statistical process control, such as simultaneous and time weighted control charts and change point analysis, to SST and QC of SRM experiments, discusses their advantages, and provides practical guidelines. Evaluations on simulated data sets, and on data sets from the Clinical Proteomics Technology Assessment for Cancer (CPTAC) consortium, demonstrated that these methods substantially improve our ability of real time monitoring, early detection and prevention of chromatographic and instrumental problems. We implemented the methods in an open-source R-based software package MSstatsQC and its web-based graphical user interface. They are available for use stand-alone, or for integration with automated pipelines. Although the examples focus on targeted proteomics, the statistical methods in this manuscript apply more generally to quantitative proteomics.

SUBMITTER: Dogu E

PROVIDER: S-EPMC5500765 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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MSstatsQC: Longitudinal System Suitability Monitoring and Quality Control for Targeted Proteomic Experiments.

Dogu Eralp E Mohammad-Taheri Sara S Abbatiello Susan E SE Bereman Michael S MS MacLean Brendan B Schilling Birgit B Vitek Olga O

Molecular & cellular proteomics : MCP 20170508 7

Selected Reaction Monitoring (SRM) is a powerful tool for targeted detection and quantification of peptides in complex matrices. An important objective of SRM is to obtain peptide quantifications that are (1) suitable for the investigation, and (2) reproducible across laboratories and runs. The first objective is achieved by system suitability tests (SST), which verify that mass spectrometric instrumentation performs as specified. The second objective is achieved by quality control (QC), which p ...[more]

PMID: 28483925

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Project description:BACKGROUND:Malaria remains a challenge in Solomon Islands, despite government efforts to implement a coordinated control programme. This programme resulted in a dramatic decrease in the number of cases and mortality however, malaria incidence remains high in the three most populated provinces. Anopheles farauti is the primary malaria vector and a better understanding of the spatial patterns parasite transmission is required in order to implement effective control measures. Previous entomological studies provide information on the ecological preferences of An. farauti but this information has never before been gathered and "translated" in useful tools as maps that provide information at both the national level and at the scale of villages, thus enabling local targeted control measures. METHODS:A literature review and consultation with entomology experts were used to determine and select environmental preferences of An. farauti. Remote sensing images were processed to translate these preferences into geolocated information to allow them to be used as the basis for a Transmission Suitability Index (TSI). Validation was developed from independent previous entomological studies with georeferenced locations of An. farauti. Then, TSI was autoscaled to ten classes for mapping. RESULTS:Key environmental preferences for the An. farauti were: distance to coastline, elevation, and availability of water sources. Based on these variables, a model was developed to provide a TSI. This TSI was developed using GIS and remote sensing image processing, resulting in maps and GIS raster layer for all the eight provinces and Honiara City at a 250 m spatial resolution. For a TSI ranging from 0 as not suitable to 13 as most suitable, all the previous collections of An. farauti had mean TSI value between 9 and 11 and were significantly higher than where the vector was searched for and absent. Resulting maps were provided after autoscaling the TSI into ten classes from 0 to 9 for visual clarity. CONCLUSIONS:The TSI model developed here provides useful predictions of likely malaria transmission larval sources based on the environmental preferences of the mosquito, An. farauti. These predictions can provide sufficient lead-time for agencies to target malaria prevention and control measures and can assist with effective deployment of limited resources. As the model is built on the known environmental preferences of An. farauti, the model should be completed and updated as soon as new information is available. Because the model did not include any other malaria transmission factors such as care availability, diagnostic time, treatment, prevention, and entomological parameters other than the ecological preferences neither, our suitability mapping represents the upper bound of transmission areas. The results of this study can now being used as the basis of a malaria monitoring system which has been jointly implemented by the Solomon Islands National Vector Borne Disease Control Programme, the Solomon Islands Meteorological Services and the Australian Bureau of Meteorology. The TSI model development method can be applied to other regions of the world where this mosquito occurs and could be adapted for other species.

Project description:Proteomic profiling using mass spectrometry (MS) is one of the most promising methods for the analysis of complex biological samples such as urine, serum and tissue for biomarker discovery. Such experiments are often conducted using MALDI-TOF (matrix-assisted laser desorption/ionisation time-of-flight) and SELDI-TOF (surface-enhanced laser desorption/ionisation time-of-flight) MS. Using such profiling methods it is possible to identify changes in protein expression that differentiate disease states and individual proteins or patterns that may be useful as potential biomarkers. However, the incorporation of quality control (QC) processes that allow the identification of low quality spectra reliably and hence allow the removal of such data before further analysis is often overlooked. In this paper we describe rigorous methods for the assessment of quality of spectral data. These procedures are presented in a user-friendly, web-based program. The data obtained post-QC is then examined using variance components analysis to quantify the amount of variance due to some of the factors in the experimental design.Using data from a SELDI profiling study of serum from patients with different levels of renal function, we show how the algorithms described in this paper may be used to detect systematic variability within and between sample replicates, pooled samples and SELDI chips and spots. Manual inspection of those spectral data that were identified as being of poor quality confirmed the efficacy of the algorithms. Variance components analysis demonstrated the relatively small amount of technical variance attributable to day of profile generation and experimental array.Using the techniques described in this paper it is possible to reliably detect poor quality data within proteomic profiling experiments undertaken by MS. The removal of these spectra at the initial stages of the analysis substantially improves the confidence of putative biomarker identification and allows inter-experimental comparisons to be carried out with greater confidence.

Dataset Information

MSstatsQC: Longitudinal System Suitability Monitoring and Quality Control for Targeted Proteomic Experiments.

Publications

MSstatsQC: Longitudinal System Suitability Monitoring and Quality Control for Targeted Proteomic Experiments.

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