Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ebff08f544dd19384a4ce76a19b8749",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.701,
"b": 88.701,
"c": 39.439,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,0.990],
"number_observations": 1080881,
"number_observations_unique": 169758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 32458,
"number_observations_unique": 7658,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.269
},
{
"type": "R(meas)",
"value": 2.587
},
{
"type": "R(pim)",
"value": 1.215
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [44.350,5.420],
"number_observations": 7760,
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}