Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "074646ba0f308ee7fa2a7fdfcca53bb0",
"space_group_name": "P 3",
"unit_cell": {
"a": 83.721,
"b": 83.721,
"c": 40.633,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.9000,1.130],
"number_observations_unique": 101870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 5262,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 32.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [41.860,6.190],
"number_observations": 3186,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}