Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed7d6b6ecfff8a6ab6f2de923a5b068e",
"space_group_name": "H 3",
"unit_cell": {
"a": 87.241,
"b": 87.241,
"c": 59.625,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.810,1.300],
"number_observations": 206199,
"number_observations_unique": 41245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 8898,
"number_observations_unique": 2119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [46.810,7.000],
"number_observations": 550,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
}
]
}