Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "560eab57e219a21a3faaf5ac5e9b1d1c",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.58,
"b": 82.58,
"c": 133.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.540,2.420],
"number_observations": 412938,
"number_observations_unique": 20734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.420],
"number_observations": 31885,
"number_observations_unique": 1513,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.035
},
{
"type": "R(meas)",
"value": 2.085
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [34.540,10.820],
"number_observations": 3589,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}