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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. | 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. | ||
- | {{:how_to:web:dse_new_dataset_based_on_sresults.png?nolink&250 |}} | + | {{:how_to:web:dse_new_dataset_based_on_sresults.png?nolink&200 |}} |
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{{ :how_to:web:dse_new_dataset_creation_panel_empty.png?nolink&1000 |}} | {{ :how_to:web:dse_new_dataset_creation_panel_empty.png?nolink&1000 |}} | ||
- | ==== Create a simple dataset (single group) ==== | + | \\ |
+ | |||
+ | ===== Create a simple dataset (single group) ===== | ||
- | === Dataset properties === | + | ==== Dataset properties ==== |
In the right panel, two text fields allow you to enter a name and description (optional) for your dataset. | In the right panel, two text fields allow you to enter a name and description (optional) for your dataset. | ||
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* One “Identification” Dataset Node is created for each one of the Result Files you have selected. They take the name of the Result File. | * 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. | + | {{:how_to:web:dse_newly_created_dataset.png?nolink&250 |}} |
- | The grey icon let you known that it is not yet validated. | + | |
- | {{:how_to:web:dse_newly_created_dataset.png?nolink&300 |}} | + | Once your Identification Dataset has been created, you can see it on the tree, in the left side of the window. You may need to collapse and expand again the //Identifications// node to see it appear.\\ |
+ | The white icon let you known that it is not yet validated (becomes green when validated). | ||
- | The panel of the Aggregation Node 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. | ||
+ | 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 [[#Create a simple dataset (single group)|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. | ||
+ | |||
+ | {{ :how_to:web:dse_edit_annotations.png?nolink&700 |}} | ||
+ | |||
+ | |||
+ | === 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|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: | ||
+ | |||
+ | {{ :how_to:web:dse_edit_annotations_bio_groups.png?nolink&550 |}} | ||
+ | |||
+ | 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). | ||
+ | |||
+ | {{ :how_to:web:dse_edit_annotations_bio_groups_created.png?nolink&700 |}} | ||
+ | |||
+ | \\ | ||
+ | \\ | ||
+ | |||
+ | === 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 | | ||
+ | |||
+ | **Note** | ||
+ | In most of the cases, the definitions go as following:\\ | ||
+ | - biological group = biological condition\\ | ||
+ | - biological sample = biological replicate\\ | ||
+ | - sample analysis = technical replicate\\ | ||
+ | However, these definitions are not strict and you can use and adapt the hierarchy to fit your needs. | ||
+ | |||
+ | * As shown previously (see [[#Example 1: multiple biological groups | example 1]]), choose the result set mapping property and add the //Biological group// column. | ||
+ | * In the toolbar box, now select the //Biological sample// annotation, and add it by clicking on //Add//. | ||
+ | * You can re-arrange the columns order to fit your data table: drag and drop the column headers to move them. | ||
+ | * Copy/paste the relevant columns of your table in the annotation editor. | ||
+ | |||
+ | {{ :how_to:web:dse_edit_annotations_bio_groups_bio_rep.png?nolink&800 |}} | ||
+ | |||
+ | \\ | ||
+ | {{ :how_to:web:dse_edit_annotations_bio_groups_bio_rep_created.png?nolink&300|}} | ||
+ | Click //OK// to register the annotations and see them in the creation panel.\\ | ||
+ | Then click //Create Dataset//.\\ | ||
+ | The generated dataset will have 3 levels of aggregation: | ||
+ | * top-level (name: chosen in creation panel) | ||
+ | * biological groups (names: from annotation editor column) | ||
+ | * biological samples (names: from annotation editor column) |