New Sample Creation

Single sample creation

To create a new sample

1. Navigate to Samples page by going to Data Browser -> Samples.
2. Click "Create a new sample" button located in the top-right part of the screen, above the table listing all the existing samples.
3. Choose Single Sample out if the two provided options
4. In the appeared window, fill general information in the Sample tab. Two fields are required (marked with an asterisk (*)) for each sample before it can be saved:
   • Display Name: a unique identifier of the sample
   • Physical State: whether the sample is in solution or solid form.
5. After completing the required fields, four additional tabs become editable, allowing you to provide further sample details including:
   • Container: specify details about tube, rotor or other container holding the sample
   • Composition: create a list of components with details such as concentration and isotope labeling for each of the constituents
   • Sample Properties: enter biophysical properties of the sample
   • Additional Info: store any other details you wish to associate with the sample. Please note that each tab also has "Notes" section where any additional info can be entered
6. Enter information about molecular interactions (Optional)

   If you are monitoring an interaction of a molecule of interest with a binding partner you can save interaction details using Interaction Manager. To do so

   • Add all the components in the Composition tab
   • Click the Interaction Manager button located in the top-right part of the screen
   • Follow the on-screen instructions
7. Press Save and Close button once you are done. Once the sample was saved it will appear in Samples section of the Data Browser

Creating multiple samples

Creating multiple samples feature is a convenient tool that allows batch creation of similar samples that vary by one or more parameters. Examples of such sample collections include but are not limited to:

• Titrations: multiple samples of molecule of interest at fixed concentration and varying concentration of a binding partner
• Screening samples: multiple samples of a molecule of interest with varying binding partners

To create a new sample collection

1. Navigate to Samples page by going to Data Browser -> Samples.
2. Click "Create a new sample" button located in the top-right part of the screen, above the table listing all the existing samples.
3. Choose Multiple Samples out if the two provided options
4. In the appeared window, fill general information for the first sample in the Sample tab. Two fields are required (marked with an asterisk (*)) for each sample before it can be saved:
   • Display Name: a unique identifier of the sample
   • Physical State: whether the sample is in solution or solid form.
5. After completing the required fields, four additional tabs become editable, allowing you to provide further details for the first sample including:
   • Container: specify details about tube, rotor or other container holding the sample
   • Composition: create a list of components with details such as concentration and isotope labeling for each of the constituents
   • Sample Properties: enter biophysical properties of the sample
   • Additional Info: store any other details you wish to associate with the sample. Please note that each tab also has "Notes" section where any additional info can be entered
6. After you entered all the information click the Switch to Variable Field Selection button located in the top-right corner of the sample creation window.
7. Select one or more fields that vary between the samples. The selected fields become highlighted
8. Clicking Close and Continue button will open Milti-Sample Creation Wizard where you are required to provide a name for the Sample Collection and a number of samples you wish to create

Once the sample collection is saved it can be found in Spawned Sample Collections