Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1f4b3810ab83876df92250bfb9b04d3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.37,
"b": 52.92,
"c": 44.41,
"alpha": 90.00,
"beta": 102.95,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.760,1.720],
"number_observations": 99064,
"number_observations_unique": 27080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 6457,
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.908
},
{
"type": "R(meas)",
"value": 2.286
},
{
"type": "R(pim)",
"value": 1.239
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [54.760,7.690],
"number_observations": 1144,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}