Datasets

Datasets page of the Data Browser allows users to store, organize and share data. It is organized into

• Navigation menu (Left Panel) - enables users to efficiently locate and filter data

• Datasets table (Main Section) - displays all the datasets that the user has at least read access to.

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Navigation menu

All Datasets displays all datasets that the user has at least read access to. Depending on permissions, these may include

• User's datasets

• Datasets of other lab members

• Collaborator's data sets

Public datasets are visible as well.

My Collections contains collections created by the user that fall outside of existing projects

• Users can create multiple collections to manage datasets

Project shows all the projects that the user has at least read access to.

• Datasets can be added to “Default ProjectName Collection”, which is auto-generated
• Alternatively, the user can create studies inside the project to further organize the data

Study can only exist under a project

• Datasets can be added to “Default StudyName Collection”, which auto-generated
• Alternatively, the user can create dataset collections inside the study to further organize the data
  • the study may contain multiple dataset collections
  • the study may contain datasets that are ungrouped under a collection

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Datasets Table

The Datasets Table displays all the datasets that the user has at least read access to.

Display Name/ Dataset Name

Display Name displays user-defined experiments names. Dataset Name is the original name of the experiment as it was recorded on the spectrometer.

Display Name column

• is always visible in the Datasets Table
• is editable if the user has write access to the dataset.

Dataset Name column

• is not visible by default but can be toggled on
• is not editable

When a user downloads an experiment, it will be saved using the Dataset Name (original experiment name).

• The corresponding Display Name can be found in a CSV file located in the downloaded experiment’s folder.

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How to customize the Datasets Table view

To customize the view of the Datasets Table

1. Click on the "Wrench" Icon in the top-right corner of the table
2. Click on the "Displayed Columns" button and select which columns you want to be visible in the Datasets Table
3. Click the "Save View" button
   • The saved views can be edited and deleted
4. The user can create multiple views
   • To switch between different views click on the "Saved Views" button

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How to download experiments

To download experiments

1. Navigate to the Datasets section of the Data Browser
2. Locate the experiments you want to download
3. Click the "Checkbox" icon to select multiple experiments.
   • Alternatively, right-click on a single experiment to automatically select it
4. Right-click and select "Download" option form the context menu
5. Choose data organization format:
   • Organized for Topspin
     • If the datasets are in Bruker format you can download it structured for Topspin
     • The Topspin hierarchy of the data, including all folders/subfolders, will be preserved
   • Organized by experiment
     • Each experiment will be in a separate folder

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Quick Filters

Quick filters are predefined views that allows users to quickly access specific datasets. The user can apply one or more filters:

• Successful Datasets Only – displays datasets classified as successful
  • To classify a dataset, right-click on it and select "Classification" from the context menu

• Hide Failed Datasets – hides datasets that were classified as failed

• Non-Redundant Datasets – displays datasets marked as preferred
  • To mark a dataset as preferred/redundant, right-click on it and select "Redundancy" from the context menu

• My Data – displays datasets owned by the logged-in user

• Non-public Data – displays datasets that have not been made public
• KB Datasets - display datasets that have been published in a knowledgebase

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Context menu

Right-clicking on a dataset opens the Context menu which provides various actions that users can perform on the selected dataset. The available options depend on the user's permissions for that dataset, options that are not allowed will appear grayed out. The options might include:

1. Edit Dataset
   • Change basic information about the dataset
   • Mark dataset as preferred/redundant
2. Reassign
   • Reassign dataset to another user within the lab
   • Reject misaligned data
     • User has three months to reject the data
     • The rejected data are automatically assigned to the facility manager of the facility in which the dataset was collected
3. Download - download selected datasets
4. NMRbox Integration - copy the dataset to NMRbox
5. Supplemental Data - upload supplemental data
6. Redundancy - mark a dataset as preferred/redundant
7. Link Sample - link the dataset to the sample that has been created in the Samples section of the Data Browser
   • Name of the sample and a link to its information will appear in the Sample Column of Datasets Table
8. Classification - classify dateset as
   • Calibration experiment
   • Failed - sample related
   • Failed - instrument related
   • Failed - setup related
   • Succesful Experiment
   • Test experiment

1. Tags
2. Notes
3. Unlink from Collection - if the dataset is linked to a Dataset Collection, the user can unlink it
4. Make Public - make the dataset public. This is a PERMANENT option and can't be undone.
5. Publish -