Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "596bfa0488b82a4e55dc16d2963eefec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.310,
"b": 82.587,
"c": 98.002,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.150,1.080],
"number_observations": 8490741,
"number_observations_unique": 200036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 42.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.080],
"number_observations": 878540,
"number_observations_unique": 28357,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.178
},
{
"type": "R(meas)",
"value": 5.264
},
{
"type": "R(pim)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 31.000
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [63.150,3.420],
"number_observations": 254686,
"number_observations_unique": 6335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 142.300
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 40.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}