Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "677e50c4f9a62bc65c48ce3b3b2b7e40",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.389,
"b": 95.389,
"c": 45.741,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.240,1.370],
"number_observations": 528335,
"number_observations_unique": 43189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 15331,
"number_observations_unique": 2076,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.401
},
{
"type": "R(meas)",
"value": 2.585
},
{
"type": "R(pim)",
"value": 0.936
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [41.240,7.500],
"number_observations": 3483,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 80.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}