Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7401e4b31f4075983eed035bbfca8a54",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.755,
"b": 65.596,
"c": 84.509,
"alpha": 90.0,
"beta": 93.7,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.730,1.680],
"number_observations": 272234,
"number_observations_unique": 78503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.680],
"number_observations": 37115,
"number_observations_unique": 11013,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.339
},
{
"type": "R(pim)",
"value": 0.714
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [68.730,5.300],
"number_observations": 9366,
"number_observations_unique": 2810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}