Hello, Gregory,
I did this very often for 2D or 3D experiments. The detail is given below.
For 3D experiment with aqseq = 321,
(1) you need to copy ae pulse sequence, such as hncacbgp3d, to hncacbgp3d.d0,
and add the following row before "1 ze" in the hncacbgp3d.d0,
"d0 = d0+in0*l1/2" ;L1 is td1s in previous experiment; it must be even!
L1 (actually it's l1) is the number of 2D planes acquired. You may enter
command s td to see how many 2D planes were acquired in the stopped experiment (exp1).
(2) exp2: copy your stopped experiment to a new one (exp2), change the pulse
sequence to hncacbgp3d.d0, set the parameter L1 to the number from exp1.
Change td1 to td1-2*L1. Start the acquisition.
To check if the experiment is running ok or not, you may compare a few 1D
spectra. In exp1, you may use efp to process a few FIDs. Given your data size
is 2048 * 64 * 128, and your experiment stopped at 30 (i.e. L1=30), then
you may process FID 64*30+1, +2, +3, or +4. These are the extra FIDs acquired
after 30 whole planes.
In the exp2, you may also process the first 4 FIDs. The 1D spectra from the
FIDs should be same as those four in exp1. But they may be 180 degree phase
off because of the States-TPPI. That's ok because the following script
mergeser will take care it.
(3) copy the attached AU program mergeser to your au/src folder. After finishing
the exp2, copy exp1 to exp3. In exp3, enter mergeser that will combine the data
in exp1 and exp2.
Note: the dtypa in exp1 and exp2 should be same that can be either integer
or double. More detail is given in the file mergeser.
The procedure for 2D experiment is same as the 3D experiment with aqseq = 321.
For 3D with aqseq = 312, you'll need to add the following row in new pulse
sequence, "d10 = d10+in10*l1/2"
Best
Youlin Xia, Ph.D.
Director of Biomolecular NMR Center
Department of Structural Biology
St Jude Children's Research Hospital
262 Danny Thomas Place, MS 311
Memphis, TN 38105
Office Phone: 901-595-1142
Lab phone: 901-595-2874
Web: home.stjude.org/nmr
-----Original Message-----
From: main_at_ammrl.groups.io <main_at_ammrl.groups.io> On Behalf Of Ulrich via groups.io
Sent: Monday, July 10, 2023 10:09 AM
To: main_at_ammrl.groups.io
Cc: ammrl_at_groups.io; Pouremad, Reza <Reza_Pouremad_at_hms.harvard.edu>; Sheahan, Charles Andrew <Charles_Sheahan_at_hms.harvard.edu>
Subject: Re: [AMMRL] Stopping and continuing experiments on Bruker NEO Systems
Dear Dr. Heffron,
Am Montag, Juli 10, 2023 12:44 CEST, schrieb "Heffron, Gregory J." <gregory_heffron_at_hms.harvard.edu>:
> Hi All,
>
> I write to ask the group if anyone knows how best to stop an acquisition
in progress on Bruker NEO systems. We are somewhat familiar with commands
> to do this, but have not had much success in getting them to work. Specifically,
> we would like to be able to stop an acquisition in progress, then start it
> at a later time from the point it was stopped, OR be able to stop an
> acquisition, then restart it by calculating appropriate delays and add the data
> together when the total experiment is finished. We ask about this because we
> suffer occasionally from interruptions to experiments with cryoprobes due
> to cooling water issues.
>
these troubles do not belong to NEO also to the AVANCEs before!
You can 'halt' an 1D acquisition to pump up the number of scans or transients -
then you can add the freshly set numbers to the previously halted acquisition -
go is the magic word - NEVER use 'ZG' - this is zero go - then all the previously
added stuff has gone!!!
To do this with 2Ds ... no way to add some more rows or transients. You have
to start from scratch.
OK - if there is something broken in the connection - with the NEO you can
address the 'broken' stuff from the previous running acquisition - there is
one chance to get these from the EPU. You can move these data fragments on
your harddrive and then you can try your best. EPU is an enhancement to the
previous IPSO box or even the previous CCU-unit.
Good luck and have a nice try!
Yours sincerely,
Ulrich Haunz
> Any ideas are greatly appreciated, and we will post a summary.
>
> Best,
>
> Greg
>
> Gregory J. Heffron | Director, Biomolecular NMR Facility | Visiting
> Scientist, Dana-Farber Cancer Institute | Department of Cancer Biology
> Harvard Medical School 240 Longwood Ave. | Boston, MA 02115 | Fax
> :617-432-4383
>
>
>
>
>
>
--
=========================
Ulrich Haunz, Dipl.-Ing. (FH)
NMR-Spektroskopie
Raum L 710, L 807
NMR-Center M520, M521, M527
Postfach M 715
Fachbereich Chemie
Universitaet Konstanz
78457 Konstanz
Tel.: +49 (0)7531 88-4261 -> M521 Bruker Avance NEO 800
Tel.: +49 (0)7531 88-4422 -> L807 JEOL Lambda 400
Tel.: +49 (0)7531 88-4955 -> L710 Bruker AVIII HD 400
Tel.: +49 (0)7531 88-4956 -> M520a Bruker AVIII 600
Tel.: +49 (0)7531 88-4957 -> M527 Bruker AVIII 400 Automation
Tel.: +49 (0)7531 88-4958 -> M520 Bruker AVIII 400 WB
Tel.: +49 (0)170 9153213
FAX : +49 (0)7531 88-3898
=========================
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Received on Mon Jul 10 2023 - 09:48:29 MST