Difference between revisions of "NMR"

Revision as of 11:06, 23 January 2013

Nuclear Magnetic Resonance Spectroscopy Wikipedia entry

Manuals

Information Schema

Notes

• WARNING: STRONG MAGNETIC FIELD!
  • Read all warnings posted near instrument.
• The NMR has a hardware console. The PC connects to the NMR console via ethernet cable.
  • The PC is configured with a dedicated private [10.10.] network.on eth1.
  • eth0 is on TESC LAN w/ static IP 10.14.3.200
• Student access to the PC:
  • UN: student
  • PW: c13nmr
• Network Information
  • PC is not joined to the domain;
  • If accessing resources on TESC LAN network, and credentials are required, when prompted for "domain name" use AC_COMPUTING [this is the legacy Windows NETBIOS name]
  • There's a shorcut on the desktop [called NMR-Data-to-Orca] to \\Orca\research\NMR-Data [this is a 'static' connection using the acuser domain account]
• The reference hardware/software serial #: S010780
• The software (VnmrJ 2.2D) license codes
  • G5023AA
  • G5027AA
• The software (VnmrJ) will create raw free induction decay (FID) files
  • These files can be directed to the network share by browsing to \Home\student\desktop\NMR-Data-to-Orca
  • Help files & Manuals are located on the desktop
    • /home/student/desktop/VnmrJ_Manual/
• VnmrJ Issues/Bugs:
  • If the software is closed by clicking on the window x icon to close the application, VnmrJ will leave behind a lock file within the users profile.
  • The issue/Bug will be experienced if the user tries to open the application again, and tries to start a new test, VnmrJ will display an error.
    • Assuming that the user is "Student", the lock file will be found in this directory: \Home\Student\VNMRsys
    • the lock file will have a .primary file extension as well as having "lock" in the file name;
      • for example: rm_lock_4.primary
      • in the example, the 4 will represent the "4" or "4th" test.

NMR Spectroscopy Software

• Use [GSim] software for processing/analysis of FID files
  • The CAL has GSim software installed.
    • Former software used for trying to work with FID files --these are proprietary software:
      • Acorn NMR Inc. NUTS software.
      • ACD/Labs NMR Processor software.

NMR Database

• nmrshiftdb2

"nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software."

General instrument information

• • The helium needs to be recharged every 4 month [MAX believed to be 6 months]
  • The liquid nitrogen needs to be recharged every 1 week [Max is believed to be 2 weeks]
  • Consequence of failure to recharge aformentioned gases is "Magnetic Quench"!
    • It's estimated that it would/will cost $15K to fix should quench occur.

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