AUC Problem Solving with UltraScan

Introduction to UltraScan and UltraScan Data Analysis

Presenter: Borries Demeler, University of Texas, USA

Description for morning session (Introduction to UltraScan):

In the morning session, I will present an easy introduction into UltraScan, discuss the basic concepts underlying data analysis with UltraScan and help participants become familiar using a database backend for data management. I will go over the LIMS system and remote supercomputer analysis, and discuss the layout of UltraScan modules and data files, and review the data workflow when performing data analysis. Participants will learn how to commit data, perform the basic workflows for data processing, and use the supercomputer backend, utilize the reporting system, and manipulate data both locally and in the database. Participants will learn how to upload and edit absorbance, intensity, fluorescence and interference data, and how to retrieve data from the new Optima AUC. We will review the data manager and other utilities to help you access your data remotely from different computers and resume analysis from different sites.

Description for afternoon session (UltraScan Data Analysis):

During the afternoon session, I will focus on advanced topics in experimental design, data analysis and result interpretation. We will review the information obtained from various analysis methods and compare and contrast what can be learned from each method (and what cannot be learned!). We will discuss the 2-dimensional spectrum analysis, custom grid method, genetic algorithms, the parametrically constrained spectrum analysis, the Monte Carlo analysis, the van Holde - Weischet analysis and discrete model genetic algorithms for fitting interacting systems and custom-built models.

I will also review strategies for maximizing experimental information by judiciously designing your experiments, and discuss caveats, tips and tricks that are often overlooked. This will be done by example using sample data from systems that illustrate the following concepts:

Another part of this workshop will look at visualizations for finite element models using 2-dimensional and 3-dimensional plotting procedures, and if time permits, I'll present advanced topics in multi-wavelength analysis and cover how publication-quality custom graphs can be generated with UltraScan.

This workshop will be presented in two sessions: Introduction to UltraScan, Monday morning from 9:00-13:30, time slots 3 + 4, and UltraScan Data Analysis, Monday afternoon from 14:30-19:00, time slots 5 + 6. The workshop will be repeated all day Tuesday during time slots 7 + 8, and 9 + 10.

Please note:


WORKSHOP PREPARATIONS:

In order to maximize hands-on time with the software, I would like to minimize any time spent on technical issues, slow software downloads, software installation and tasks that can best be accomplished before you arrive at the conference. They include:

The better everyone is prepared, the faster we can jump into the interesting stuff and focus on data analysis and interpretation of the results.

So please do the following before you arrive:

  1. Download a copy of UltraScan from: http://www.ultrascan3.uthscsa.edu/download.php
  2. Read the installation instructions (especially Mac users!): http://www.ultrascan3.uthscsa.edu/installation.php and install the software on your laptop.
  3. Register your UltraScan installation. A registration dialog will pop up the first time you run it, click on "Register" and use an e-mail address that you can access from the conference center in Glasgow (i.e., not one that is protected by your intranet or rejects all previously unknown mail as spam), since your registration needs to be validated per email sent to you.
  4. Register for a LIMS account here: https://uslims3.fz-juelich.de/uslims3_AUC2017/newaccount.php
    (Note: For the purpose of the workshop, we will all be using the same LIMS instance, i.e., uslims3_AUC2017, even if you already have your own LIMS instance + account, still register for this one. After the workshop, everyone will be set up with a LIMS account of their own). You will be sent an e-mail with a temporary password. Use it to log into your new LIMS account at: https://uslims3.fz-juelich.de/uslims3_AUC2017/login.php (your e-mail address is your login username). Once logged in, navigate to "Change my Info" in the left bar, and update your temporary password to something you can remember (at least during the workshop :-)
  5. Create a Master Password: In UltraScan, select "Edit:Preferences:Master Password:Change" and enter the same password (the one you just updated in (4) and the one you can remember :-)
  6. Change the "Default Data Location" in UltraScan's "Edit:Preferences" from "Local Disk" to "Database".
  7. Download the sample data here: http://www.ultrascan.uthscsa.edu/data/workshop/workshop_data.zip
  8. Extract the sample data. After installation of UltraScan, you should have a folder called "ultrascan" in your home directory. On Windows, this would ordinarily be in C:\Users\youraccountname\ultrascan.
  9. Email me. After you made it that far, please send me an email to demeler@biochem.uthscsa.edu so I can update your LIMS account to allow supercomputer submissions. This is a necessary step I want to complete before the workshop. If you have problems at any of these steps, please also e-mail me so I can help you before the workshop.

THANK YOU!!