Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41ac69f18bf5a4ee61f6ad3d56ae0af4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 184.028,
"b": 120.170,
"c": 87.868,
"alpha": 90.00,
"beta": 108.92,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.085,2.350],
"number_observations_unique": 72417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.350],
"number_observations": 10922,
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.694
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 75.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [60.080,11.510],
"number_observations": 2435,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}