Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "265945bb246c7a58d5b0e78c2975de7e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.509,
"b": 83.562,
"c": 81.927,
"alpha": 90.00,
"beta": 113.04,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.8200,1.360],
"number_observations_unique": 114656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 51108,
"number_observations_unique": 5533,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.032
},
{
"type": "R(meas)",
"value": 2.154
},
{
"type": "R(pim)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [42.790,7.450],
"number_observations": 7788,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}