Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7cdcd1c2866fb3ff1245db59ee177034",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.002,
"b": 112.757,
"c": 62.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.320,1.100],
"number_observations": 1014756,
"number_observations_unique": 116246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 17279,
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [66.320,6.020],
"number_observations": 7778,
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}