Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "244524489c3c1e0b608f6f5beb5f2a46",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.98,
"b": 82.98,
"c": 133.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.630,2.350],
"number_observations": 451840,
"number_observations_unique": 22861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 33689,
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.949
},
{
"type": "R(meas)",
"value": 3.024
},
{
"type": "R(pim)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [39.630,10.510],
"number_observations": 3733,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 58.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}