Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2a6c6fe012443b9b8c8e0dae2a22bca",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 90.33,
"b": 140.47,
"c": 84.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.360,1.830],
"number_observations": 587741,
"number_observations_unique": 47074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 25370,
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.002
},
{
"type": "R(meas)",
"value": 2.110
},
{
"type": "R(pim)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [45.360,8.180],
"number_observations": 7171,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}