[RMCProfile-users] Fitting data from SAED

[Stenz, Christian]

Hi all,



I would like to fit my real space and reciprocal space data obtained from TEM selective area electron diffraction (SAED) on amorphous GeTe samples. I don't know much about the backend computations regarding the x-ray/neutron atomic form factors in RMCProfile (of course I had to utilise the electron atomic form factors to calculate F(Q) and D(r)), but should there be any issues when supplying the normalised functions in both real and reciprocal space? I.e.:

XRAY_REAL_SPACE_DATA :: 1

  > FILENAME :: GeTe_asd.DrN

  > DATA_TYPE :: D(r) normalised

  > FIT_TYPE :: D(r) normalised

  > START_POINT :: 1

  > END_POINT :: 1000

  > CONSTANT_OFFSET ::   0.0000

  > WEIGHT ::   0.0050

  > NO_FITTED_SCALE



NEUTRON_RECIPROCAL_SPACE_DATA :: 1            %% here I declare NEUTRON data instead of XRAY data since one cannot choose the normalised data type in XRAY_RECIPROCAL_SPACE_DATA

  > FILENAME :: GeTe_asd.FqN

  > DATA_TYPE :: F(Q) normalised

  > FIT_TYPE ::  F(Q) normalised

  > START_POINT :: 1

  > END_POINT :: 1341

  > CONSTANT_OFFSET ::   0.0000

  > WEIGHT ::   0.0050

  > NO_FITTED_OFFSET

  > NO_FITTED_SCALE

  > CONVOLVE ::



Thank you in advance for any kind of feedback!



Best regards,

Christian

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20210617/da0ed529/attachment.htm>