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MS-Angel: an automated management of LC-MS/MS acquisition files, and a direct link to Proline

Introduction to MS-Angel

The MS Angel software allows you to easily manage your acquisition files. It offers several levels of file processing, including:
- file conversions, from RAW and WIFF files;
- peaklists identifications using one or several search engines (Mascot fully supported, OMSSA is being integrated);
- import of identification results within Proline.

The design of workflows and tasks provides a high level of automation and control.

Installation and administration

See the dedicated page.

The graphical interface in 5 tabs

  • Workflow history: visualize tasks, giving details about the progression of the workflow on each file of the selected task.
  • Identification history: visualize tasks including an MS identification step, giving details about the search engine, search parameters, and identification results for each file of the selected task.
  • New task: design and launch a new task.
  • Search parameters: create, import, visualize and modify search parameters templates.
  • Log events: know about the last notable events in tasks execution [not yet implemented].

User case example

We will follow the example of a user willing to launch a task executing :
- the conversion of RAW acquisition files into peaklists,
- a peaklist identification using Mascot,
- the import of identification results into an existing Proline project.

For this, we will see how to go through each step:
1. Create a search parameters template
2. Create and launch a task (input files, workflow…)
3. Visualize progression and results.

For some of these steps, several options will be suggested and explained.

NB: The tasks and templates created in MS-Angel are assigned to an owner, wich is a Proline user. If you don't have a profile on Proline yet, please create it first. If you wish to import your identification results in a Proline project, it also has to be already existing. See how to create a project in Proline.

1. Create a search parameters template

Go to the “Search parameters” tab, then to the search engine-specific subtab.

There a several ways to create a template:

Option A: Fill the form by hand

Fields whose names are marked by a star are mandatory.
Keywords can be used (within diples) for the fields 'User name' and 'Search title'. The list of available keywords and their meaning is displayed by clicking on the help icon.
Several databases can be selected by clicking on the databases names while pressing the shift key (or the Ctrl key to select a range of entries).
To add some PTMs to the 'Fixed modifications' list, select them in the complete list of modifications (on the right), then click on the top '<' button. To remove modifications from the 'Fixed modifications' list, select them within the 'Fixed modifications' list then use the top '>' button. This works the same way for 'Variable modifications', using the bottom '<' and '>' buttons.

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

Click on 'Load parameters'. Select the template you want to load. The template list can be filtered by template user, as seen on the screenshot below. You can see all the templates in the database by selecting Owner: All users.
Load the template by double-clicking on it, or clicking 'Load'.

The form fields will then auto-fill with the template values; and the template name and owner will be displayed at the top of the form (yellow zone on screenshot).

You can edit any field. When a value is changed and differs from the actual template, the field name becomes bold and italic. If any value changes in the template, the text '[MODIFIED]' will appear near the template name (orange zones).

When your changes are done, you can either:
- save it as a new form: click on 'Save parameters', change the template name and/or owner.
- override the existing form: click on 'Save parameters', and don't change the template name and owner. A confirmation will be asked, since this operation is irreversible.

Option C: Import a Mascot Daemon .PAR file (Mascot parameters only)

Click on 'Import parameters'. A file browser will open. The default folder for Mascot Daemon .PAR files can be registered in the 'Setup' menu.
The form will auto-fill when a .PAR file is selected. Note that the default template name will be the .PAR file name, and that no owner is attributed to the template.

As said before, you can edit this form before saving it by clicking 'Save parameters'.

2. Create and launch a task

b. Define the task global parameters

b. Schedule type and input data

  • **Mode 'Start Now':

3. Visualize progression and results

msangelworkflow.1444122221.txt.gz · Last modified: 2015/10/06 11:03 by 193.48.0.3