Universität Erlangen-Nürnberg, Institut für Organische Chemie
News and messages
Waldi Bauer has setup an educational video on the effect of eddy currents on
magic angle spinning of graphite. This video may be looked up at YouTube by
using this link:
There will be a lack of manpower in the NMR lab until end of May, 2012.
Thus, any “special plots” like zooms etc. cannot be carried out
by the operators. Please make these plots yourself by using the
free ACD software package (can be obtained by M. Speck or W. Bauer).
Forwarded mail to colleagues and AK members of the Institute
dear group members,
as you will know, at the Institute of Organic Chemistry in Erlangen we run a PC where all
service NMR data as well as data from the Bruker spectrometers are stored. This disk is now
100% full and urgently needs cleaning.
In the past, many non-NMR-relevant data have been stored on this disk (research reports,
dissertations etc.), and many old files from group members who have left the Institute since
long are "buried" on this disk. Unfortunately, many of these files carry wrong time stamps
(e.g., there are files from the Gröger group dating "2001" what simply is nonsense). These
wrong time stamps originate from wrongly set clocks on individual PCs and/or the Bruker PCs.
Hence, an automatic cleanup wouldn't work.
It is thus mandatory to completely erase *all* files in directory "avance" on the "nmrpool" disk.
The erasing date will be
*Thursday, June 14, 2007, 10 am*
Please backup *all* of your files 'til that date. There will be *no* backup by the NMR department.
Please keep in mind that the "nmrpool" disk always acts only as a temporary storage medium.
Everyone running spectra on the Bruker machines is responsible for her/his own data. The operators
cannot be made liable for any loss of data. Please make it a common routine to backup your data
*immediately* after your measurement.
Please check the address list of this mail. I tried to include anyone from the Institute listed on the
individual home pages, however, I can't give any warranty to have included all AK members. In
case that you miss a name or that someone is off the Institute: please backup his/her files as well
and/or forward this mail.
As mentioned, the erasing procedure concerns the "avance" directory (i.e. files from the Bruker 300
and Bruker 400). All other service NMR data will not be affected.
I apologize for any inconveniences caused by this procedure, but I'm confident that you will understand
the reasons for doing so.
Again: the deadline for the complete "avance" erasure is
*Thursday, June 14, 2007, 10 am*
Sorry for any cross posting.
Our employee, Mr. Placht is sick and will be away possibly for
a longer period. Hence, we have reduced manpower in the NMR
department. Please accept that there may be delays in measuring
your samples. We strongly recommend that you undertake measurements
yourself whenever possible.
Thank you very much!
The web addresses of the Institute of Organic Chemistry have been
changed recently. Due to that, some links to "nmrpool" didn't work
any longer. This has been fixed.
The new, correct address is
According to Dr. Hultzsch, some files and/or folders have disappeared
from the "nmrpool" disk. We couldn't figure out when these files were
deleted and who did it. Dr. Hultzsch has a backup CD of these files,
please contact him.
This is an opportunity to repeat once again: the "nmrpool" disk is
purposed for temporary storage of NMR files. You should
immediately make a backup of your data after your measurement.
The NMR operators do not backup these data, and they are not
liable for any data loss. Anyone has access to these data, and anyone
can delete them. A built-in automatic routine regularly deletes files
older than one year anyway! Take care of your data yourself!
In addition, "nmrpool" should contain NMR data only! Do
not store any research reports etc. there! Such files will be
deleted automatically and without warning!
There will be no NMR service on August 21 and 22, 2003
(Mr. Schätzke and Mr. Placht will be absent!)
There will be no NMR service on August 08 and 11, 2003
(Mr. Schätzke and Mr. Placht will be absent!)
The EX400 is currently down, we have a defective fan in the
spectrometer power amp. Service will be carried out Tuesday,
January 29,2002. In case of urgent samples, please measure yourself
at another available spectrometer or contact the service
The NMR raw data server is up again since ca. 1 week and is
now in its final state. For details of the data formats,
please look up the
The NMR raw data server is currently down. A new server system
is currently being installed for the Bruker spectrometers
by Dr. Hommes (thanks, Nico!). You will be informed at this
site whenever the system is up again.
We are welcoming our new team member, Mr. Chrsitian Placht.
He will replace Mr. Holitschky for the recording of service
Mr. Schätzke will be on holidays from
July 30 to August 24, 2001. No NMR service will be
available during this period.
Mr. Holitschky has permanently left the Institute July 1, 2001.
As a consequence, there will be considerably less throughput
for the service measurements. The position will be locked for
three months. We apologize for the inconvenience.
On Friday, June 15, 2001 the NMR service department will be
occupied by only one single person (Mr. Holitschky). Please make
your plans accordingly.
There will be changes in room U34: the old PMX60 will be completely
removed. The new PMX60-SI will be moved to the former isotope
lab (3rd floor) and may be accessed there in its normal way.
Room U34 will be reconstructed starting on Monday, May 21, 2001.
There will be severe re-building in the NMR department during the
next weeks. The new Bruker 400 will be located in a room to be newly
constructed (former Damenduschen), the new Bruker 300 will be installed
in room U34, the room of the (now) 60 MHz machines. The old one of
the 60 MHz will be removed, the newer one (1995, left side) will
be moved to a location to be announced. This machine will be available
at least as long as the new 300 is on field. The NMR crew will do
their best to avoid any shortcomings.
The NMR raw data server PC is alive again. We have built in a new memory
what seems to have solved all the previous problems. All data are available
again. Thanks much to Dr. Nico Hommes for taking care about this!
The NMR raw data server PC doesn't work at the moment. This machine
has been unreliable from the very start (sudden crashes, data
scrambling etc.). Thanks to a special testing program by Nico Hommes
we found out now that the memory is damaged and produces corrupt
data. Thus, in order to make sure that all of your spectra are stored
properly this machine has been switched off, the repair will be
very soon. Sorry for the inconvenience.
The raw data server is up again, at the moment it seems to work well
We have problems with the PC which acts as server for the raw
NMR data. Though running under Linux, this machine has shown
to be very unstable since its installation, probably a hardware
problem. The PC is down and for repair/testing in Nico Hommes'
hands at the moment. We apologize for any inconveniences, you
will be notified here once the problem has been solved.
There will be reconstructional work at the EX400 today and tomorrow.
Some delays in the measurements of routine spectra are to be expected.
The Fujitsu disk drive of the GX400 has crashed. The GX400 will be down
for ca. 4 weeks. During this period, the GX-measurements will be carried
out on the Alpha500.
NMRPOOL will be down tomorrow, August 11, 2000, for several hours,
starting 10 a.m. Nico Hommes will be fixing some data system problems.
We have achieved a new version (4.1) of the very useful and
versatile "gNMR" spin simulation software. New database
features have been implemented. Anyone interested should
There is a very useful NMR-, IR-and MS-data base system on the
web, Japanese site, which may be found
You may input 1H- and/or 13C-chemical shifts
of an unknown compound and will receive a list of matching compounds.
The data base consists of 11,000 13C spectra, 13,500
1H spectra, and 47,300 IR spectra. Try it out!
Y2K-Problem:All NMR engines and all computers related to
the NMR-department will be switched off December 31, 1999 14:00.
They will be switched on again Sunday, January 2, 2000 ca. 18:00,
provided electric current will be available. No NMR data will be available
on the Internet during that period!
It is strongly recommended to everyone to switch off and unplug
lab engines etc. etc. during the millenium change as well.
Have a look at the official
University Y2K-problem guidelines!
The raw NMR data are available again. We have a new PC running under
LINUX where the data are deposited (instead of Indigo5 as before).
The 25 GB disk allows storage of all measurement data for
at least one year. Of course, an additional permanent backup will
be carried out on CD-ROM or DAT.
Dr. Nico Hommes has kindly setup a very comfortable server which
allows to click at the spectra names in Netscape/Explorer and to
save the data locally. The data format still consists of the
Access to the PC is restricted to members of the Institute of
Organic Chemistry due to savety reasons (otherwise "competitors"
would have access to your data).
The address of the PC is:
The alternative internet address is
All measured data should be available. In case of errors caused by
the new installation, please let us know. All data are additionally
deposited on the spectrometers, so no data losses have occured.
The internet directory where the data are available will be updated
three times per day (4:30 am, 12:30, 7:30 pm).
We always appreciate feedback and comments. Please also visit the
homepage of the NMR department:
Die Rohdaten der NMR-Spektren sind jetzt wieder verfügbar. Wir haben einen neuen PC unter LINUX, auf
dem die Daten jetzt (anstatt auf Indigo5) abgelegt werden. Die 25 GB-Platte ermöglicht es, alle Messungen
für mindestens 1 Jahr zu speichern, selbstverständlich gibt es
zusätzlich nach wie vor einen permanenten
Langzeit-Backup auf CD-ROM.
Dr. Nico Hommes hat dankenswerterweise einen sehr komfortablen Server eingerichtet, der es ermöglicht,
die Daten jetzt direkt über Netscape/Explorer abzurufen und lokal zu speichern. Das Datenformat selbst
besteht nach wie vor aus den .GXD/.GXP-Files.
Der Zugang zu diesem PC ist aus Sicherheitsgründen nur innerhalb des
Instituts möglich, alle externen
Zugänge sind gesperrt (sonst hätte die "Konkurrenz" freien Zugriff auf Ihre Spektren).
Die Adresse des PCs ist:
Möglicherweise wird diese Adresse aber erst in einigen Tagen funktionieren, wenn sie vom RRZE
freigegeben wurde. Bis dahin kann alternativ der PC auch unter seiner Internet-IP erreicht werden:
Es sollten alle Meßdaten lückenlos verfügbar sein, wenn sich jedoch wegen der Umstellung Fehler
eingeschlichen haben, lassen Sie es uns bitte wissen. Da alle in letzter Zeit gemessenen Spektren zusätzlich
noch auf den Geräten selbst gespeichert sind, haben sich keine Verluste eingestellt, die Daten sind problemlos
Die Directory, die die Meßdaten enthält, wird täglich dreimal aktualisiert,
und zwar um 4:30, 12:30 und 19:30 Uhr. Hardwarebedingt muß aber der Upload von
den Geräten auf den PC noch manuell erfolgen.
Für Feedback und Anregungen aller Art sind wir wie immer sehr dankbar. Bitte besuchen Sie auch die
Homepage der NMR-Abteilung, auf der aktuelle Mitteilungen abrufbar sind:
Due to an input error, the serial numbers of some spectra of the
weekend stack have
been given twice. The problem will be fixed immediately.
Holiday schedule: Mr. Schätzke will be absent 19.7. - 15.8.,
Mr. Holitschky will be absent 16.8. - 10.9 1999. During these
periods only limited NMR service will be available.
Some of the bugs of the new NUTS version (see message of 29.1.1999)
have now been fixed and the program works stable. Interested
users should contact me.
Indigo5, the machine where /nmrpool is installed, is instable
at the moment and frequently crashes (average up time ca.
2 days). Thus, transfer of service NMR data may not work
from time to time. Sorry for that, the machine is quite old
now, no idea when we will get a new one. I tried out all the
usual tricks like thorough cleaning, dismounting/remounting
of the SIMMs etc., however, without success.
A new version of NUTS is available at the download site
of Acorn NMR (version 011499). However, I do not recommend
to use this new version. There are some severe bugs (e.g., when
installed in another partition than C:\ it is tricky to
load files). In addition, this version runs only in "NUTS lite"
mode where several important features are not available.
Instead, I recommend to further employ the older version dated
We had some problems with Indigo5 and, hence, with /nmrpool
(some sudden crashes). We hope that the machine will
run stable now. Sorry for the inconveniences.
Due to a handling error the probehead of the EX400 broke and
has been sent off for repair. We have a replacement probehead
during that period. However, this probehead first needs
thorough shimming, so samples cannot be accepted until
Nov. 5 or 6. We apologize for the inconvenience.
The EX400 is up again, samples may be submitted.
An update of version 4.0.1 of the gNMR spin simulation software
has arrived. Among others, direct import of JEOL spectra is now
possible. Interested users should contact me.
Unbelievable! The air condition has been fixed within
extremely short time. Full service can be offered
from now on, provided that the new compressor will
Due to the air condition failure we are currently
running an .
During daytime, all 3 high field spectrometers are
in operation. During nighttime and on weekends,
measurements are possible either on the Alpha500
or on the GX400.
The new compressor will be delivered in ca. 2 weeks.
We apologize for all inconveniences.
31.8.1998, 1:30 pm
Indigo 5 is alive again, /nmrpool should be available.
31.8.1998, 12:30 am
We have an problem. The air condition
compressor of rooms U35/U36 broke last weekend. Due to
the spectrometers in operation the temperature raised to 37oC.
All spectrometers had to be switched off, no high field measurements
are possible at present. We try to fix the problem (in collaboraton
with a local company). However, a new compressor has to be
ordered, and, even more serious, the Uni-Bauamt first has to
signal "green light". Don't know how long this will take, we
instantly hope that the spectrometers can be switched on again
next week. Sorry for these inconveniences which are not to blame
More bad news: the system disk on Indigo5 seems to have crashed,
it's not possible to restart the machine. Hence, also /nmrpool
is currently not available. We try to fix also this problem
as soon as possible.
Due to the above, Murphy's law seems to be valid more than
ever before. We apologize for all inconveniences and will
do our very best to fix all problems.
The new version (19980520) of the NUTS NMR processing software is now
available from Acorn NMR Inc..
As was the case in former versions, the software works in demo mode
without having a license file.
NMR raw data (FIDs) are now stored on a disk which is physically located
at Indigo5. The relevant directory is exported as /nmr/nmrpool for
the other Indigos in the Institute. The relevant system managers are asked
to mount this file system locally, preferably as "/nmrpool".
NMR customers are asked to check the availability of their NMR data at the
relevant system manager sites. In case of doubt, please contact Harald
Mauser (room E18, phone 2539).
The data which were collected during the time of the system rebuilt are
completely stored on /nmrpool. In addition, all data will be stored
permanently on a separate device.
The new disk permits temporary storage of routine NMR data now for
180 days (one half year).
As may be knwon, the Convex has been replaced by the AS1200. This implied
a complete re-configuration of the file system which is still in progress.
Unfortunately, there is currently no access for customers to "/nmrpool".
A new disk will be installed on Indigo5 which is physically located in
the NMR department of the Institute. The delivery of this disk has been
promised by a local company for Friday, May 8, however, the company failed
to deliver. Since I will be off for a conference the coming week the
installation of the new disk will not be possible before May 18.
We apologize very much for the inconvenience.
No data will be lost, please just be patient. In case that you should
urgently need some few NMR data for post-processing, please contact Mr.
Schätzke or Mr. Holitschky. In this case these people might do
ftp tranfer of the data to your local computer.
The Institute has achieved the gNMR software package. This progam
allows the simulation of spectra with any types of nuclei (i.e., also
spin > 1/2 nuclei). In addition, chemical exchange calculations may be
done. Further features are: iterative optimization of simulated spectra,
handling of mixtures of up to 10 components, treatment of anisotropic
As a special feature, structures drawn in an editor (e.g. ISIS draw) may
be imported and the spectra will be simulated (good for 1H
Data from JEOL spectrometers may be imported after conversion with the
built-in conversion routine.
We have achieved one licenese for the program. The software is installed
on the PC of W. Bauer (room E20). If anyone is interested, please contact
W. Bauer for a demo.
The spectra on /nmrpool will be stored 12 weeks instead of
4 weeks from now on
The location of storage of raw NMR service spectra has moved
from (old) /mnt/nmrpool to (new)
The spectra will now be stored for four weeks instead
of (old)14 days.
NMR customers: please make sure to indicate the date at your
forms for service measurements! Forms which are missing the date
of submission will be put back in the queue.
Back to NMR Department Home Page
Institute of Organic Chemistry
Location: Rooms U34, U35, U36
University of Erlangen-Nürnberg
D-91054 Erlangen, Germany