Integrating Advanced Materials Simulation Techniques into an Automated Data Analysis Workflow at the Spallation Neutron Source

2014 ◽  
pp. 297-308 ◽  
Author(s):  
Jose M. Borreguero ◽  
Stuart I. Campbell ◽  
Olivier A. Delaire ◽  
Mathieu Doucet ◽  
Monojoy Goswami ◽  
...  
Keyword(s):  
Data Analysis ◽  
Neutron Source ◽  
Advanced Materials ◽  
Spallation Neutron Source ◽  
Simulation Techniques ◽  
Materials Simulation ◽  
Analysis Workflow ◽  
Automated Data Analysis

scholarly journals Automated SWATH Data Analysis Using Targeted Extraction of Ion Chromatograms

2016 ◽  
Author(s):  
Hannes L Röst ◽  
Ruedi Aebersold ◽  
Olga T Schubert
Keyword(s):  
Data Analysis ◽  
High Accuracy ◽  
Error Rates ◽  
Selected Reaction Monitoring ◽  
Reaction Monitoring ◽  
Specific Mass ◽  
Quantitative Accuracy ◽  
Analysis Workflow ◽  
Control Of Error ◽  
Automated Data Analysis

Targeted mass spectrometry comprises a set of methods able to quantify protein analytes in complex mixtures with high accuracy and sensitivity. These methods, e.g., Selected Reaction Monitoring (SRM) and SWATH MS, use specific mass spectrometric coordinates (assays) for reproducible detection and quantification of proteins. In this protocol, we describe how to analyze in a targeted manner data from a SWATH MS experiment aimed at monitoring thousands of proteins reproducibly over many samples. We present a standard SWATH MS analysis workflow, including manual data analysis for quality control (based on Skyline) as well as automated data analysis with appropriate control of error rates (based on the OpenSWATH workflow). We also discuss considerations to ensure maximal coverage, reproducibility and quantitative accuracy.

The Spallation Neutron Source (SNS) project: a fertile ground for radiation protection and shielding challenges

2005 ◽  
Vol 115 (1-4) ◽  
pp. 23-32 ◽  
Author(s):  
F. X. Gallmeier ◽  
P. D. Ferguson ◽  
I. I. Popova ◽  
E. B. Iverson
Keyword(s):  
Radiation Protection ◽  
Neutron Source ◽  
Spallation Neutron Source ◽  
Fertile Ground
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