Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "956a30741c1d37ec43b9bc4118befa0e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.11,
"b": 83.11,
"c": 133.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.680,2.420],
"number_observations": 419064,
"number_observations_unique": 21005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.420],
"number_observations": 32303,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.286
},
{
"type": "R(meas)",
"value": 2.342
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [39.680,10.820],
"number_observations": 3672,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}