Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbad49e9ce7280d80318fca9ae37bbfa",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.209,
"b": 60.209,
"c": 96.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95386],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.180,1.020],
"number_observations": 1769877,
"number_observations_unique": 100875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 30337,
"number_observations_unique": 3816,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.613
},
{
"type": "R(meas)",
"value": 2.792
},
{
"type": "R(pim)",
"value": 0.962
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 76.400
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.361
}
]
},
{
"resolution_limits": [96.180,5.590],
"number_observations": 13210,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 133.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}