Skip to content
Roger Olivella edited this page Feb 7, 2025 · 65 revisions

START HERE: How to Use This Documentation

This guide is intended for proteomics bioinformaticians. If you are a mass spectrometry data analyst or operator, you can jump directly to QSample Website Operation.

For Proteomics Bioinformaticians:

  • The charts below provide a visual summary of the complete software pipeline used for installing and operating QSample. The charts are categorized for Thermo Fisher instruments and other instruments.
  • Each red bullet point with a number corresponds to the detailed steps outlined in the right panel of this page.
  • The flow of the software pipeline follows the steps numbered 1 to 5, but the installation sequence should proceed as follows:
    1. First, install the QSample atlas pipeline (Point 4) and the server (Point 5).
    2. Then proceed with the installation and configuration instructions in Point 0, Points 1 and 2, and Point 3.

QSample Configuration for Thermo Fisher Instruments

overview2

QSample Configuration for Bruker Instruments

QSample currently supports processing folders with the .d extension, which is the proprietary data format used by Bruker instruments. To ensure correct functionality, follow the instructions below:

  1. Copying the .d Folders:
    The data folder with the .d extension should be manually copied or moved using an automated script to the designated incoming_folder. Once placed in this location, QSample will automatically detect and process the data.

  2. DDA Workflows Only:
    Currently, QSample only supports Data-Dependent Acquisition (DDA) workflows for Bruker instruments. Ensure that the experiments adhere to this workflow before processing.

  3. Automated Processing:
    Once the folders are copied to the incoming_folder and the pipeline is configured, QSample will handle the data processing automatically without any further manual intervention.

Tip: You can set up an automated script to streamline the data transfer process from the instrument to the incoming_folder, minimizing manual work and potential errors.

QSample Configuration for Other Instruments

overview_no_thermo