Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "079d02b849ce6e5d8e355850b3b09994",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.752,
"b": 95.752,
"c": 45.862,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.680,1.400],
"number_observations": 514000,
"number_observations_unique": 41002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 16737,
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.348
},
{
"type": "R(meas)",
"value": 2.501
},
{
"type": "R(pim)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [67.680,7.670],
"number_observations": 3248,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}