Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de5768499e0d885f7e9c47ab59bb5e33",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 128.777,
"b": 128.777,
"c": 101.449,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.870,2.000],
"number_observations": 1320343,
"number_observations_unique": 65461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 92631,
"number_observations_unique": 4483,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.573
},
{
"type": "R(meas)",
"value": 2.637
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [48.870,9.180],
"number_observations": 12726,
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 95.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}