Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72cfe5ee2d4ee3626f015038ae11217e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.050,
"b": 69.095,
"c": 49.787,
"alpha": 90.00,
"beta": 97.87,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.940,1.380],
"number_observations_unique": 147236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 12778,
"number_observations_unique": 3821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2447
},
{
"type": "R(meas)",
"value": 2.871
},
{
"type": "R(pim)",
"value": 1.469
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.182
}
]
},
{
"resolution_limits": [58.940,7.560],
"number_observations": 1835,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}