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Nearly white .sht master pattern with EMEBSDmasterSHT for spherical indexing of trigonal LiCoO2 #178

Closed clemencepinot closed 2 months ago

clemencepinot commented 2 months ago

Hello,

My goal is to generate a .sht master pattern for Lithium Cobalt Oxyde (LiCoO2) in order to index EBSD maps with EMSphInx. I installed EMsoft and generated the master pattern of the tutorial datasets (Ni and Forsterite) without any issue. But with LiCoO2 I end up with a EBSD master pattern picture that is almost completely white (see the .tiff file which is saved automatically with the .sht when using EMEBSDmasterSHT).

LiCoO2 (LCO) {15kV 69 0deg}

I tried indexing an EBSD map with the .sht but the result does not seem right: orientations are different from those obtained with the vendors software (Hough-based indexing). There seems to be an issue with the generated master pattern.

I put all the necessary files in a .zip file (crystal data .xtal, namelist files .nml for Monte Carlo simulations and Master pattern simulation, the Monte Carlo .h5 file, the resulting master pattern in .sht and .tiff, an example of a Kikuchi pattern from my measurements). More files or data can be provided if needed.

Thank you for your help, Regards, Clémence Issue_MasterPattern_LiCoO2.zip

clemencepinot commented 2 months ago

We found the error : we mixed up the crystal cell parameters between the .cif file and the .inp (one is in nanometers and the other is in angstrom). It works a lot better now.