Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b35c9fc67e8d150be11225c00b8e130a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 92.990,
"b": 60.493,
"c": 79.390,
"alpha": 90.00,
"beta": 94.75,
"gamma": 90.00
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.340,1.730],
"number_observations": 147068,
"number_observations_unique": 45379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 6128,
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(meas)",
"value": 1.254
},
{
"type": "R(pim)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [46.340,8.990],
"number_observations": 1089,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}