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msangelworkflow [2015/10/13 17:38] 193.48.0.3 |
msangelworkflow [2016/03/29 16:17] (current) 132.168.72.225 |
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{{ :mascot_params.png?800 |}} | {{ :mascot_params.png?800 |}} | ||
+ | \\ | ||
+ | \\ | ||
- | Then save your new template by clicking //'Save parameters'//. You must provide your template a name, and an owner within Proline users. | + | {{:save_params_template.png?450 |}} |
+ | \\ | ||
+ | \\ | ||
- | {{ :save_params_template.png?450 |}} | + | Then save your new template by clicking //'Save parameters'//. \\ |
+ | You must provide your template a name, and an owner within Proline users. | ||
+ | |||
+ | == . == | ||
=== Option B: Modify an existing template === | === Option B: Modify an existing template === | ||
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In the '//Input data//' part, click on //Add files//. A file browser will open for you to select all your input files. It can be .RAW, .WIFF, or .MGF files. All input files must have the same extension. | In the '//Input data//' part, click on //Add files//. A file browser will open for you to select all your input files. It can be .RAW, .WIFF, or .MGF files. All input files must have the same extension. | ||
- | The default folder for this file browser can be set in //Setup (menu) -> Open setup dialog -> Preferences (first tab) -> File browsing (first section) -> Input files directory (first field)//. | + | The default folder for this file browser can be set in //[[.:msangelInstallAndAdmin#|'Setup']] (menu) -> Open setup dialog -> Preferences (first tab) -> File browsing (first section) -> Input files directory (first field)//. |
As long as you task is not started, you can modify this list by adding more input files, or select and remove some (//Delete// button). | As long as you task is not started, you can modify this list by adding more input files, or select and remove some (//Delete// button). | ||
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- //Ending options//: select the criterium to end up the task. It can be either a finite number of processed files, or a given date, or (if the two are selected) the first to be reached. It is currently impossible to launch a task in Real-time monitoring mode without ending parameters. | - //Ending options//: select the criterium to end up the task. It can be either a finite number of processed files, or a given date, or (if the two are selected) the first to be reached. It is currently impossible to launch a task in Real-time monitoring mode without ending parameters. | ||
- | == . == | + | |
=== d. Design the workflow === | === d. Design the workflow === | ||
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The buttons at the top allow you to create and design new operations. | The buttons at the top allow you to create and design new operations. | ||
- | {{:add_workflow_operation.png?500 |}} | + | {{:add_workflow_operation.png?475 |}} |
**WARNING:** The operations order is crucial: the operations will be chained in this order, so it must be coherent with your file format, and in-between operations. For example, you must convert RAW files into MGF files before submitting them to Mascot, and must run a search on Mascot before import its results in Proline.\\ | **WARNING:** The operations order is crucial: the operations will be chained in this order, so it must be coherent with your file format, and in-between operations. For example, you must convert RAW files into MGF files before submitting them to Mascot, and must run a search on Mascot before import its results in Proline.\\ | ||
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== File conversion == | == File conversion == | ||
- | {{ :file_conversion.png?800 |}} | + | {{ :file_conversion.png?1000 |}} |
Click on '//Add file conversion//'. | Click on '//Add file conversion//'. | ||
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You can see and change the conversion settings by clicking //Options//. | You can see and change the conversion settings by clicking //Options//. | ||
- | When using MsConvert, you can (and are recommanded to) use the Proline rule for generated spectrum titles. | + | When using MsConvert, you can (and are recommanded to) use the Proline rule for generated spectrum titles by selecting '//Use Proline 1.0 parsing rule//'. Using this rule, your MGF file will contain all the information needed by Proline for further analysis. |
- | // TO BE CONTINUED ... | ||
== Peaklist identification == | == Peaklist identification == | ||
+ | {{:pk_identification_croped.png?700 |}} | ||
+ | Select the search engine(s) you desire for peaklist identification. | ||
+ | |||
+ | For each, selected a parameter set by clicking the corresponding '//Select parameters//' button. When a template is chosen, its name and owner will be displayed, and you will be able to click '//See parameters//' to have a quick look at it. | ||
+ | |||
+ | == . == | ||
+ | == . == | ||
== Proline import == | == Proline import == | ||
+ | |||
+ | {{:proline_import_croped.png?500 |}} | ||
+ | This feature allows you to import each identification result in Proline, as soon as it is created. | ||
+ | The parameters are the same than [[how_to:studio:importmascot|in ProlineStudio]] and [[.:how_to:web:importResultFiles|in Proline Web]]. | ||
+ | |||
+ | //Peaklist software//: the software that was used to create the peaklists (i.e. MGF files). If you used MS-Angel for this conversion, this value will be infered. (NB: If you used the option '//Use Proline 1.0 parsing rule//4, then select '//Proline 1.0//' here.) | ||
+ | |||
+ | //Instrument configuration//: on which the samples were run | ||
+ | |||
+ | //Decoy strategy//: if you ran a classic target/decoy search on Mascot, select '//Software Decoy//'. | ||
+ | |||
+ | //Protein Match decoy rule//: these rules must be defined in Proline before (TODO: how to) | ||
+ | |||
+ | //Ion score cutoff// and //Subset threshold// are optional. | ||
+ | |||
+ | == . == | ||
=== e. Launch the task === | === e. Launch the task === | ||
+ | |||
+ | Click on '//RUN TASK//' at the bottom. | ||
+ | {{ :run_task.png?1000 |}} | ||
+ | {{ :task_submitted.png?450|}} | ||
+ | \\ | ||
+ | A popup window will open to let you know if the task was well launched. Close this window, you will be redirected to the //Workflow History// tab. | ||
+ | |||
+ | == . == | ||
==== 3. Visualize progression and results ==== | ==== 3. Visualize progression and results ==== | ||
+ | |||
+ | Two tabs are dedicated to tasks visualization.\\ | ||
+ | In the //Workflow History// tab, all tasks are displayed, and the progression of the workflow can be followed.\\ | ||
+ | In the //Identification History// tab, only tasks with a Peaklist Identification are displayed. The information given in this tab is related to the peaklist identification. | ||
+ | |||
+ | === Workflow history === | ||
+ | |||
+ | {{ :workflowhistory_enhanced.png?800 |}} | ||
+ | |||
+ | In the tree at the left, all tasks are displayed with an icon pointing out the tasks status (running, succeeded, failed...). By double-clicking the task name (orange), the input files appear in the tree (yellow).\\ | ||
+ | A selected task can be cloned by clicking //Clone//.\\ | ||
+ | The displayed tasks can be filtered on their name using the tool circled in red above. | ||
+ | |||
+ | The top-right parts (pale orange) are related to the tasks. It gives detailled information on the parameters (left) and workflow operations (right). | ||
+ | The bottom-right table is search-related: one line per input file. Texts in blue are hyperlinks, offering much details on the search progression. Some columns may be shown or hidden ('+' icon, circled in yellow). | ||
+ | |||
+ | {{ :copy_table.png?300|}} | ||
+ | The table can be copied, without or without the column names (//headers//), by right-clicking on the table.\\ | ||
+ | You can also select only some cells to be copied (use the shift key to select a range of cells). | ||
+ | |||
+ | You can switch to //Identification History// while keeping the focus on a given task. To do that, right click on the task name in the tree, then on '//Go to Mascot task//' / '//Go to OMSSA task//'. | ||
+ | |||
+ | |||
+ | === Identification history === | ||
+ | |||
+ | {{ :identification_history_enhanced.png?800 |}} | ||
+ | The tasks in the tree are only those containing a Peaklist Identification in the workflow. So be aware that task number in the two history tabs may be different for a same task. If a search is run on //n// search engines, then there will be //n// associated identification tasks. | ||
+ | |||
+ | The top-right part (pale orange) is related to the identification task: you can se the search parameter template that was used, and the details of these parameters (useful in case the template has been updated since). | ||
+ | |||
+ | In te bottom-right table, search-related, you can see the details of the peaklist identification progression. For Mascot tasks, as in Mascot Daemon, you can click on a result file name (xxx.dat) to be redirected in your default web browser, on the Mascot result page. | ||
+ | |||
+ | As for //Workflow History//, you can copy the table (whole or selected cells), show or hide columns, and filter the displayed tasks. | ||
+ | You can also switch to the ///Workflow History// while keeping the focus on a given task; by right-clicking on the task name in the tree, and then on '//Go to Workflow task//'. |