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how_to:web:createaggregate

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Identification Tree and Dataset creation

Once your Result Files have been imported, you can use them to create a new Identification Dataset. To create it from result files, you can:

  • right-click the Identification Trees node in the project tree, then select New Dataset or
  • double-click the Identification Trees node to show the identifications grid. It is meant to list all your datasets, and the results of their validation if you've run them. For now, click on the New Dataset button from the toolbar.

Note that you can also create an empty dataset to further assemble complex structures using drag and drop in the project tree. However, this way is not favoured.



You should now see a window asking to choose a source of data for your new Dataset.
The only option available yet is Result Set: it allows you to build a new dataset from the Result Files you have imported. Click OK to continue.


Create a simple dataset (single group)

Dataset properties

In the right panel, two text fields allow you to enter a name and description (optional) for your dataset.

By default, the result sets will be named in the tree using the result file name. You can change that with the Name child results using box. The possibilities are: peaklist file name, raw file identifier, result file name, sample, search title.

Files selection

To add one or many files to your selection, select them in the grid (you can use the Ctrl and the Shift keys to make a multiple selection), then click on Add to dataset (top-right of the panel). You can also double click on one file to quickly add it to the selection.

To remove any file from the selection, just select them and click on Remove selected Items.

Created dataset

The creation of your identification dataset happens as follows:

  • An “Aggregation” Dataset Node is created. It takes the name that you provided during the creation.
  • One “Identification” Dataset Node is created for each one of the Result Files you have selected. They take the name of the Result File.

Once your Identification Dataset has been created, you can see it on the tree, in the left side of the window. The white icon let you known that it is not yet validated (becomes green when validated).

Double click on the aggregation node to open the identification summary. This panel shows a list of your Identification fractions (corresponding to each imported file) and, after the validation process, it will display the Merged Result Summary infos.




Create a complex dataset (automatic grouping)

Dataset properties and files selection

Refer to the previous paragraph to know how to do these steps.

Add annotations to files

Once you have selected your result files, click on Add annotations. A window shows up, with as many empty lines as selected files.

Example 1: multiple biological groups

Let's say you compare 2 conditions, and you have the following result table (Excel file for instance). The idea is to copy/paste this table to the annotation editor.

Result file Peaklist File Condition
F078594.dat OVEMB150205_21.raw.mgf UPS1 50fmol
F078596.dat OVEMB150205_23.raw.mgf UPS1 50fmol
F078592.dat OVEMB150205_25.raw.mgf UPS1 50fmol
F078590.dat OVEMB150205_27.raw.mgf UPS1 50fmol
F078591.dat OVEMB150205_12.raw.mgf UPS1 5fmol
F078595.dat OVEMB150205_14.raw.mgf UPS1 5fmol
F078597.dat OVEMB150205_16.raw.mgf UPS1 5fmol
F078593.dat OVEMB150205_18.raw.mgf UPS1 5fmol
  • Select a property to identify the result set with the Map annotations using… box. It doesn't need to be the same property as for dataset children name (see dataset properties), so long as it refers to the selected files. In this example, it is convenient to select “Peaklist file name”.
  • In the toolbar at the top of the grid, the annotation Biological group is selected by default. Click Add to add this column to the grid.
  • Copy the “Peaklist File” and “Condition” columns of your table, and paste it (using Ctrl + V) in the empty grid of the annotation editor. Note that the files order doesn't matter, so long as there is the right count.
  • The window should now look like this:

Click OK to register these annotations. The window closes and the files selection has been annotated as shown below (on the left). Click Create Dataset. The generated dataset (below, on the right) will have 2 levels of aggregation: biological group (with the copy/pasted names) and top-level (chosen name for dataset).



Example 2: multiple biological groups and biological samples

Let's take a slightly more complex design, introducing biological replicates for each condition:

Result file Peaklist File Biological replicate Condition
F078594.dat OVEMB150205_21.raw.mgf BRep 1 UPS1 50fmol
F078596.dat OVEMB150205_23.raw.mgf BRep 1 UPS1 50fmol
F078592.dat OVEMB150205_25.raw.mgf BRep 2 UPS1 50fmol
F078590.dat OVEMB150205_27.raw.mgf BRep 2 UPS1 50fmol
F078591.dat OVEMB150205_12.raw.mgf BRep 1 UPS1 5fmol
F078595.dat OVEMB150205_14.raw.mgf BRep 1 UPS1 5fmol
F078597.dat OVEMB150205_16.raw.mgf BRep 2 UPS1 5fmol
F078593.dat OVEMB150205_18.raw.mgf BRep 2 UPS1 5fmol
how_to/web/createaggregate.1467725201.txt.gz · Last modified: 2016/07/05 15:26 by 193.48.0.3