The eight spectrometers listed below constitute the instruments maintained as part of the Department of Chemistry's Magnetic Resonance Facility. All instruments are made available on a first-come-first-served or scheduled basis to UW-Madison researchers (see Policies). Fees are applied for all users. Training is required to obtain access for all instruments.

HERMES - Varian MercuryPlus 300 (installed Dec 2004)

Auto-sample changer only (use only standard 7-9" 5mm NMR tubes; see Bob if you want to use J-Young tubes)

1H and 13C only, no VT

Varian BB probe

  picture of Mercury-300 robot and magnet

  picture of Mercury-300 host computer and console

ATHENA - Bruker AC+ 300a (installed Nov 93)

Walkup use only

For routine 1H/19F/31P/13C, no VT

Bruker 5 mm quad-nucleus probe

  picture of AC-300 (Athena)

HOMER - Bruker AC+ 300

(installed Dec 93)

Walkup use only

For routine 1H and 13C (1H only during daytime hours), no VT

Bruker 5 mm 1H/13C dual probe

  picture of AC-300 (Homer)

NATOTH - Bruker AVANCE 360 (installed Apr 99)

Non-routine broadband with variable temperature (-160 to +120 C)

Long-term VT, multinuclear NMR, kinetics, concentration limited samples

Bruker 5 mm BB with z-axis PFG

Bruker 10 mm BB

Bruker 5 mm HPX inverse triple resonance (1H/31P/X) with z-axis PFG

  picture of AVANCE-360

NARN - Varian UNITY 500 (installed 88; PFG upgrade Nov. 97; new bbext probe 5/07)

Non-routine broadband with variable temperature (-140 to +120C)

Capable of any experiment, but optimized for direct-X detection

Varian 5 mm BB/1H switchable with z-axis PFG

  labeled picture of UNITY-500

VORLON - Varian INOVA 500 (installed Apr 98)

Inverse experiments, 1H kinetics, 2D studies, combinatorial chemistry, limited sample amounts

Capable of any experiment, but optimized for 1H-detected short-term experiments

Default probe: Varian 5 mm inverse 1H/13C/X with z-axis PFG: VT -100 to +80 C

Varian 5 mm broadband-switchable 1H/X with 1-axis PFG; VT -100 to +80 C

Nalorac 5 mm inverse 1H/31P/X (X tunes to 103Rh) with z-axis PFG; VT -140 to +120 C

Varian 5 mm 1H/19F: only high-field probe where 1H{19F} and 19F{1H} is possible; VT -100 to +100 C

Varian nanoprobe (Magic-Angle-Spinning), 1H/13C/15N with z-axis gradient

Nalorac 3 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C

  picture of INOVA-500 (Vorlon)

  picture of INOVA-500 magnet

VALEN - Varian INOVA 600 (installed Apr 2000)

Long-term 2D/3D studies; highest 1H sensitivity; water suppression

 

Varian 3 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C.

Varian 5 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C.

Varian 5 mm inverse 1H/31P/X with z-axis PFG; VT -100 to +80 C.

  picture of INOVA-600 (Valen)

ESPY - Bruker ESP 300 Electron Spin Resonance

(installed Apr 89)

paramagnetism, free-radical chemistry

  picture of ESP-300 (ESR)

 

PHOENIX - Bruker AC+ 250

retired April 2005

VIR - Varian UNITY 300s

retired 1998 - Solid-state NMR

 

  picture of computer lab

• NUTS-1d: the primary software used for 1D workup in the routine facility. NUTS replaced PCNMR4Windows for routine workup in Sept. 1998. At that time, the facility acquired a site license for NUTS-1d. The Acorn NMR web site provides detailed information, help, and downloadable demos for PCs and Macs. We have written guides to help install and update the license file for facility users, and provide a brief summary of NUTS commands that complements the excellent on-line NUTS documentation, help, and tutorials from Acorn.
• NUTS-2d arrayed mode: fast 2D processing on PCs. Three individual licenses of the full 2d version of NUTS are installed on the PCs in rm 2224.
• VNMR v6.3c: the primary software for all Varian NMR instruments. VNMR is particularly appealing in experimental setup and acquisition, and for standard 2D processing and plotting. VNMR is easy to learn and quite versatile. VNMR is installed on all 7 Sun workstation located in facility. The spectrometer hosts should not be used for data workup and analysis.
• XwinNMR v2.5: the primary software for our Bruker AVANCE instrument. The AVANCE-360 is hosted by an SGI O2 worksation.
• WinDNMR: an excellent dynamic NMR spin simulation package. Written by Prof. Hans Reich in the Chemistry Department, WinDNMR allows realtime adjustment of simulation parameters, making it a very useful learning as well as research tool. This software is installed on all PCs throughout the facility.
• ACD HNMR/CNMR + NMR-Manager: the chemical+NMR database, often useful chemical shift predictions, and nice interface make the ACD software appealing. ChemSketch is the core chemical drawing software through which the other portions of the package are started. This software is installed on one PC (Vir) in rm 2224.
• gNMR: spin simulation package that allows import and fitting of experimental data; gNMR is useful when very accurate simulations are needed. This software is installed on one PC in rm. 2224.
• FELIX-95: a good package for sophisticated 2D/nD workup and analysis. FELIX is somewhat difficult to learn, but is extremely versatile especially in its macro language. FELIX is standard processing software at NMRFAM (as well as NMRPipe), and many FELIX related macros are available there. Felix is installed on two of the Sun workstations.

  Computer Resources

• Bruker AC-300 data:
  • accessible at nmrsnap.chem.wisc.edu (128.104.70.79)
  • this network-mounted snap server is web browser compatible and (easiest access) can be crossmounted to Windows PCs. It can be also accessed via FTP.
  • NMRData provides all current data (~2 weeks)
  • DataArchives provides access by week to older data (~1 yr)
  • Temp provides a temporary folder that has read and write access to all users
• Varian data:
  • accessible at nmrhfsnap.chem.wisc.edu (128.104.70.93)
  • Mercury-300 data currently is stored at \\nmrhfsnap\hermes\operator
  • data from the 500 and 600 MHz instruments is stored at \\nmrhfsnap\hf\group\operator
• Babylon7 (main file server): A Windows-based server for the PC network in the facility. Babylon7.chem.wisc.edu (IP address 128.104.70.189)
• Zhadum (primary Sun file server): the primary file server for the Sun/VNMR (Solaris) network within the facility. Zhadum.chem.wisc.edu can be accessed via FTP by password only. Zhadum is an Ultrasparc 1 with 256 Mb memory and 80 Gb on a disk farm, located in rm. 2219A.
• Natoth: the host SGI O2 (IRIX 6.5) for the new Bruker AVANCE 360 spectrometer.
• Other Sun resources: Two SunBlade and one Ultra10 workstations are available for off-line processing: Giam, Zog and Zarg. The UNITY-500 is hosted by Narn, the INOVA-500 by Vorlon, the INOVA-600 by Valen. Narn is a Sparq 5; the other two are Blade1500s.
• Other PC resources: High-ended PC's are located in rms. 2224 and 2219A.
• Printers: Three networked HP laser printers are available: Gkar in rm. 2224 and Ngbar in rm. 2219 have 11x17 paper available; Shadowp in rm. 2221 is a standard HP Laserjet 4M+. All three printers are Postscript capable. Color printing is not available in the facility.