DSR Lab Downloads

QSched: quantile scheduler for NUS.

Educational materials relating to publications.

Uniform 15N-enriched human ubiquitin : Human Ubiquitin at VLI-Research

The ultimate online resource for NMR data on human ubiquitin is Dr. Richard Harris' Ubiquitin NMR Resource Page

QSched v0.95

Developed by D. Levi Craft, Virginia G. Rovnyak and David Rovnyak

This is a fully functional beta. It runs on Macs. We welcome your feedback but please be aware we may not be able to reply to all emails, but will try.

The tar file contains the main python file (including two supporting files) and a manual. It is released under the GPL.

If you choose to download, email your name and institution name to :


and you will receive any notices of updates. Documenting downloads will also help us to pursue resources to further develop QSched.

To cite QSched, please use:

Darien L. Craft, Reilly E. Sonstrom, Virginia G. Rovnyak, David Rovnyak,"QSched: a general scheduler for nonuniform sampling", in preparation, 2017.

Download QSched 0.95 for Mac.


Three modules for NMR in education that we have developed.

1. ethanol/water exchange experiment on a EFT-60
2. Intro to Biomolecular NMR: 15N Direct Detected HSQC
3. Protein Hydrodynamics: 15N Relaxation (T1 and T2)

1. Ethanol/Water on an EFT-60

An ethanol:water experiment to measure the proton lifetimes on a 60 MHz pulsed FT-NMR (Anasazi Inc.). Here is the application note (copyright G. Manley, D. Rovnyak, 2006).

Ethanol/Water Application Note


2. 15N Direct Detected HSQC

Supporting material for the implementation of a 15N-detected 1H-15N correlation experiment (HSQC - heteronuclear single quantum coherence transfer) in Chemistry 340, "Biophysical Chemistry", which is described in

Rovnyak, D., Thompson, L.E.,."An accessible two-dimensional solution nuclear magnetic resonance experiment on human ubiquitin", Biochem. Mol. Biol. Ed. 33 (2), 117-122 (2005).

This experiment includes the following material:

a) A set of exercises for discussion or assignment.* Download
b) Raw data and nmrPipe processing scripts for all data.# Download
c) Pulse program (Bruker ARX 300). Download

* A copy with answers is gladly provided to instructors upon request - phone or email (drovnyak@bucknell.edu).
# Tarred an zipped for unix (e.g. linux). First unzip then do 'tar -xvf'.

3. 15N Direct Detected relaxation (T1 and T2) for hydrodynamics

Supporting material for the implementation of 15N detected relaxation experiments on human ubiquitin for determination of rotational correlation time and protein diameter in Chemistry 340,"Biophysical Chemistry", which is described in a paper to be submitted to Biochemistry and Molecular Biology Education:

Thompson, L.E., Rovnyak, D.,"Accessible NMR Experiments Studying the Hydrodynamics of 15N-enriched Ubiquitin at Low Fields", submitted (2006).

This experiment includes the following material:

a) T1 pulse sequence (Bruker Xwinnmr 2.6).* Download
b) T2 (CPMG) pulse sequence (Bruker Xwinnmr 2.6). * Download
c) MS Excel file to fit T1/T2 data to a rotational correlation time. # Download
d) MS Word file: "NMR in 8 Easy Steps!". Download

* Pulse sequence files contain many notes on configuration and use.
# Instructions are built into the excel file.


David Rovnyak
Professor of Chemistry
Bucknell University
Lewisburg, PA 17837
Office : 570-577-3676
FAX : 570-577-1739 (chem dept.)