diff --git "a/example_data/mp-706869-94.dif" "b/example_data/mp-706869-94.dif" new file mode 100644--- /dev/null +++ "b/example_data/mp-706869-94.dif" @@ -0,0 +1,8200 @@ +# Material ID: mp-706869 +# Source: mp-706869-94.npy +# Crystal System: 2 (Monoclinic) +CELL PARAMETERS: 9.448368 9.448400 16.449855 90.0000 90.0000 120.0067 +SPACE GROUP: 6 +wavelength: 0.6199 +# +# 2theta (deg) Intensity +5.000000 3.339916 +5.001831 3.664279 +5.003663 3.672077 +5.005494 4.092465 +5.007325 4.878586 +5.009156 4.288583 +5.010988 3.941325 +5.012819 5.133264 +5.014650 6.190100 +5.016482 4.612778 +5.018313 4.612949 +5.020144 4.068407 +5.021975 5.736228 +5.023807 3.659563 +5.025638 5.226247 +5.027469 4.297407 +5.029300 4.021091 +5.031132 4.670641 +5.032963 5.809280 +5.034794 4.073536 +5.036626 5.980622 +5.038457 4.504088 +5.040288 5.119065 +5.042119 4.112868 +5.043951 3.833345 +5.045782 5.446638 +5.047613 6.058355 +5.049445 3.368253 +5.051276 4.728711 +5.053107 5.372465 +5.054938 4.267874 +5.056770 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