### Model parameters in dmfit program

For all models using Gaussian/Lorentzian lines, the G/L value range from [0 to 1] corresponding to a weighted sum (G/L)*Gauss+(1-G/L)Lorentz of same widths.

**EM parameter** is the broadening factor for all models computing a powder lineshape
(CSA Stat, QUAD stat etc...)

the **EM** factor is a broadening in a.u. units

+ the value in Hz is reported in the "Lb Hz" box below

+ **EM>0** positive values yield **Lorentzian** broadening

+ **EM<0** negative values yield gaussian
broadening

Unless otherwize stated :

+ **Amplitude **: hight of the isotropic band

+ **Pos (Hz/ppm/pt)** : isotropic position

+ **dCS (Hz/ppm/pt)** : anisotropy of Chemical Shift Anisotropy tensor.

+ **etaCS [0,1]** : asymmetry parameter of the Chemical Shift Anisotropy
tensor.

+ **nuQ (kHz)** or **CQ (kHz)** : the quadrupolar frequency or quadrupolar
coupling.

+ **etaQ [0,1]** : the assymetry parameter of the Quadrupolar interaction
tensor

+ **Intensity** : the * integrated intensity* is proportional to

*for all Gauss/Lorentz based models, it has to be*

**Amplitude*Width***for all shape based models.*

**numerically computed**!!! Quadrupolar based models are only accesible when a
Quadrupolar nucleus is selected. !!!

!!! When dealing with Quadrupolar nuclei with CSA and QUAD, you can cycle
through the different interactions...

Model |
Description |
Remark / Output |

Gaus/Lor | Gaussian and/or Lorentzian lines | gl*Gauss + (1-gl)*Lorentz with same width |

ssb | Spinning Sidebands | ssb of ref: the # of the spinning sidebandssb ref : the reference lineinherits Pos, Width and G/L from the reference line through the ssb/ref values |

CSA stat | Static CSA powder pattern | Powder lineshape |

CSA MAS | CSA Spinning or not computed at the exact values | Spinning sideband intensities are computed up to 128 spinning sidebands |

Q-1 stat all | Quadrupolar Static computed at first order on all transitions | Powder lineshape |

Quad 1st | Quadrupolar MAS 1st order only MAS - finite spinning rate | Spinning sidebands to 1st order, can combine QUAD & CSA - up to 128 spinning sidebands |

Q stat 1/2 | Quadrupolar Static <1/2> Central Transition only | Powder lineshape |

Q MAS 1/2 | Quadrupolar MAS <1/2> Central Transition only - Infinite spinning rate assumed | Powder lineshape |

Jmultiplet | Compute J-multiplets - up to 4 coupling (first only can be a quadrupole) | Ji/n Ji : scalar coupling and number of coupled spins.The spin selection box only affects value 1 |

int2Quad | Computes static or MAS including 2nd order Quadrupolar, CSA and relative angles (CSA->QUAD) | Powder lineshape |

QUASAR | Computation is submitted to Quasar (J.P.Amoureux) | external module |

Simpson | Computation is submitted to Simpson (Aarhus) | This is under development and not efficient yet...Simpson have to be installed and accessible in the path this is under construction |