Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "321e42045231babbc52739ebe3cd0e93",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.634,
"b": 52.833,
"c": 44.441,
"alpha": 90.00,
"beta": 103.08,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.900,1.520],
"number_observations": 123785,
"number_observations_unique": 38748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 4168,
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.121
},
{
"type": "R(meas)",
"value": 1.425
},
{
"type": "R(pim)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [54.900,8.190],
"number_observations": 1018,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}