nmr.cemhti.cnrs-orleans.fr
On line examples | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Help/Examples.aspx
On line examples for dmfit. Under Windows the .fxmla should be automatically assigned to dmfit for opening (latest executed version): double click the file to load. Remark for Vista and Windows7 users. Vista and Windows7 do not allow application to register their extension in the normal mode, to register the 1R, fid, fxml, fxmla, f01. extensions execute the program once in the administrator mode by clicking the righg button and chosing execute as Administrator. Depending upon the browser :. Compound : YA...
nmr.cemhti.cnrs-orleans.fr
How to fit Quad 2nd broadening | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Howto/Quad/Quad2nd_1D.aspx
Fitting Second order broadened Quadrupolar spectrum. Example : 23Na MAS spectrum of Nasicon - central transition fitted with a 2nd order quadrupolar lineshape. Example : 27Al MAS 400MHz spectrum of YAG fitted with 1st order quadrupolar for AlO6 and 2nd order quadrupolar for AlO4. Quadrupolar tensor definition :. Principal values are sorted Vyy = Vxx = Vzz. Note that Vxx and Vyy have signs opposite to that of Vzz - usually NMR is not sign sensitive for EFG. With 0 =EtaQ =1. Select a nucleus by Clicking the.
nmr.cemhti.cnrs-orleans.fr
How to Fit CSA static lineshapes | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Howto/CSA/CSAstatic.aspx
Fitting static CSA spectrum. Example : 31P spectrum fitted with CSA static model. Principal values are sorted d33-diso d11-diso d22-diso. Diso is the isotropic chemical shift 1/3 (d33 d22 d11). DCS is the axiality of the CSA tensor (d33-diso). EtaCS is the anisotropy of the CSA tensor etaCS=(d22-d11)/(d33-diso). Definitions in agreement with Simpson (Aarhus). MBak, J.T.Rasmussen, N.C.Nielsen J. Magn. Reson. 147 296-330 ( 2000. It is assumed that you know how to fit Gaussian/Lorentzian lines. Isotropic Po...
nmr.cemhti.cnrs-orleans.fr
CSA MAS Example | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Howto/CSA/Default.aspx
MAS CSA Spinning sideband examples. How to Fit spectrum to a CSA static spectrum. How to Fit a spectrum to a CSA MAS spectrum. Fitting the low spinning rate. C spectrum of Glycine with CSA MAS model. Example : 13C 200MHz Glycine spectrum 5.033kHz MAS. Example : 13C 200MHz Glycine spectrum 1.940kHz MAS. Example : 13C 200MHz Glycine spectrum 0.962kHz MAS. Exemple of fitting the. P spectrum of Phosphate CSA MAS model. Example : 31P spectrum showing spinning sideband manifold / fit with the 'ssb' model.
nmr.cemhti.cnrs-orleans.fr
How to fit Quadurpolar 1st order MAS Spinning sidebands | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Howto/Quad/Quad1stMAS.aspx
Fitting First Order Quadrupolar MAS spinning sideband patterns. Example : 2D MAS spectrum of Methiodine fitted to 1st order. Example : 23Na MAS spectrum of Sodium Nitrate NaNO3. Quadrupolar tensor definition :. Principal values are sorted Vyy = Vxx = Vzz. Note that Vxx and Vyy have signs opposite to that of Vzz - usually NMR is not sign sensitive for EFG. EtaQ is the anisotropy of the Quadrupolar tensor etaQ=Vyy-Vxx/Vzz. With 0 =EtaQ =1. And thus Vxx=1/2 (-EtaQ-1)Vzz and Vyy=1/2 (EtaQ-1)Vzz.
rmn800.univ-lille1.fr
Liens
http://rmn800.univ-lille1.fr/liens.php
Site des spectromètres RMN 800 et 900 MHz de Lille. Le Centre Commun de Mesures par Résonance Magnétique Nucléaire. Bases de données RMN. Le site de Pascal Man. Spectral Database for Organic Compounds (SDOC). Biological Magnetic Resonance Data Bank. Une base de données sur les sucres avec des spectres RMN (données brutes BRUKER). Les structures de recherche en RMN. Le Réseau RMN structurale dans le Bassin Parisien. Fédération RMN Solide Hauts Champs FR2950. Et d'autres sites à venir.
nmr.cemhti.cnrs-orleans.fr
Home | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/dmfit
Dmfit Program - Home Page. The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets. Current version is : dmfit#20150521. The dmfit program is is a versatile tool designed for fitting NMR spectra, including solid state NMR. It provides a variety of different models that account for :. Chemical Shift Anisotropy (static and MAS),. First and second order Quadrupolar interaction (static and MAS). ISI citation index 1826 (20/06/2016) - 6036 users with download.
nmr.cemhti.cnrs-orleans.fr
Acknowledgements | dmfit - D.Massiot - NMR@CEMHTI CNRS UPR3079 Orléans France
http://nmr.cemhti.cnrs-orleans.fr/Dmfit/Acknowledgements.aspx
Magnetic Resonance in Chemistry, 40 pp70-76 (2002) [ see more or ask for a reprint. ISI citation index 1826 (20/06/2016) - 6047 users with download. One of the most cited recent paper in the field of Engineering ISI July 2003. Communiqué de Presse CNRS. We thank all dmfit users for this achievement. Site developed and maintained by Dominique Massiot.
