xcms使用说明书(英文版).doc

Last Update: 21 JUL 2011 XCMS Online Usage Instructions Overview XCMS Online is a new platform with an intuitive graphical interface which allows users to easily upload and process LC/MS data for untargeted metabolomics profiling. XCMS Online provides a complete metabolomics workflow including feature detection, retention time correction, alignment, annotation and statistical analysis. To facilitate the usage, predefined parameter sets for different instrument setups (e.g. HPLC/QTOF, UPLC/QTOF, HPLC/Orbitrap) can be selected. Customized settings can be created from these templates. Results can be browsed online in an interactive, customizable table that shows feature statistics, EICs, box plots, and putative METLIN ID’s for each metabolite. All results including the images can also be downloaded as zip file for offline analysis. You will need a user account to use the system however user accounts are free and only require a valid e-mail address to register. To process datasets through the XCMS Online system you will need to create a job which involves uploading the datasets, defining parameters and submitting the job. You will be notified of your job status, including errors/warnings that you can correct prior to resubmitting a job. After processing is complete, you will be notified via e-mail that your results are ready for review. All screen shots taken from v. 1.08Beta (actual screens will be similar however design modifications may be made in subsequent versions). Page 1 Quick Start 1. Create User Account – You will initially need to register your e-mail account to be able to use the system. After you register you will receive an e-mail at the account you entered with validation instructions. Upon validation you will have access to the system. You may then login using the username and password combination you used to register. Figure 1 – Create user account from home page by clicking on the “Register” button All screen shots taken from v. 1.08Be