Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "565bd53214c2eef07901eadc07b08a5b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.017,
"b": 92.839,
"c": 87.933,
"alpha": 90.00,
"beta": 108.99,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.150,2.340],
"number_observations": 313140,
"number_observations_unique": 45957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.340],
"number_observations": 48599,
"number_observations_unique": 6703,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.364
},
{
"type": "R(meas)",
"value": 1.469
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [83.150,7.400],
"number_observations": 9803,
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}