RE: AMMRL: Bruker Dynamics Center

From: Struppe, Jochem <Jochem.Struppe_at_bruker.com>
Date: Tue, 11 Nov 2014 17:15:57 +0000

Dear Celine,

The dynamics center is indeed the wrong choice for what I assume you want to get accomplished, analyzing CP buildup data.
The equation used in the dynamic center is a simple exponential decay function, unless you have a python function that carries the correct buildup and decay function.

You are correct, the dynamics center request a variable delay list yet we in solid state NMR use a variable pulse list, certainly a conflict. It is just the way it needs to be coded in liquids compared to the simple approach in solid state NMR. I'll check with our authorities if we can accommodate both approaches in the Dynamic Center.


I strongly recommend using the T1T2 analysis software in Topspin

[cid:image003.jpg_at_01CFFDA9.2FC4F110]


The only issue with these fitting routines is that you need to be mindful and experimental with the parameters:
[cid:image004.png_at_01CFFDA9.2FC4F110][cid:image005.png_at_01CFFDA6.033D9640]

I typicall do nto automatically fit all parameters but only the ones I feel I can trust.

So if you have T1rho, that value you can enter into the parameter selection and fix like I did in both cases
[cid:image007.png_at_01CFFDA6.DE843B00]
As you see you can fit a lot and it is your responsibility to make sense of it. Unfortunately we do not yet offer a correlation coefficient that would give us infomration about how independent these parameters are from each other.


[cid:image009.jpg_at_01CFFDA9.2FC4F110]

As general advice, I would suggest to write vp (variable pulse) lists as well as vd (variable delay) lists identical, using m fro milli and u for micro

Then the list looks for both vd and vp lists:
[cid:image012.jpg_at_01CFFDA9.2FC4F110]

With such a list, no confusion is caused sicne it refers in that case to second as basic units, else a vp list unit is us and delay list units are seconds s

Cheers and good luck,

Jochem
Jochem O Struppe, PhD
Product Manager BioSolids NMR
Bruker BioSpin Corp.
________________________________
Bruker BioSpin Corp.
15 Fortune Drive
Manning Park
Billerica, MA 01821

Phone: 978-667-9580
Ext. 5113
Fax: 978-901-7520


email: Jochem.Struppe_at_Bruker.com<mailto:Jochem.Struppe_at_Bruker.com>

www: http://www.bruker.com

________________________________
This message and any attachments may contain trade secrets or privileged, undisclosed or otherwise confidential information. If you have received this e-mail in error, you are hereby notified that any review, copying or distribution of it and its attachments is strictly prohibited. Please inform the sender immediately and delete/destroy the original message and any copies.
Thank you.









-----Original Message-----
From: celine schneider [mailto:cmschnei_at_mun.ca]
Sent: Monday, November 10, 2014 3:01 PM
To: ammrl_at_ammrl.org
Subject: AMMRL: Bruker Dynamics Center



Hi,



I'm trying to use with Bruker Dynamic Center to analyze my solid-state CP data and I wonder if anyone succeeded in fitting CP-curves. The data are good (well good enough for solid state) yet it won't fit at all. I measured T1rho separately but I could not find an option to manually input T1rho value, which will simplify the calculation process or at least giving it a start (this option was available in T1/T2 analysis). I'm also surprised it does not read the vplist units correctly. I had to manually rewrite the list in seconds, as it won't automatically recognize ms. Anybody find a way around that?



Thank you



Celine





Celine Schneider, PhD

Adjunct Professor in Chemistry

Research Laboratory Associate

NMR Facility / C-CART

CREAIT Network

Memorial University of Newfoundland

St. John's, Newfoundland, A1B 3X7



Tel: (709)-864-3134

email: cmschnei_at_mun.ca<mailto:cmschnei_at_mun.ca>



http://www.mun.ca/research/resources/creait/physical-sci/c-cart/



Received on Tue Nov 11 2014 - 07:16:04 MST