Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef524848f1a3434a48e27654a2252d19",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.568,
"b": 96.725,
"c": 57.915,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,2.020],
"number_observations": 93373,
"number_observations_unique": 14902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.020],
"number_observations": 5682,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [28.960,8.820],
"number_observations": 1310,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}