Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa6bfe733e5f3975dafe1015beacf7b6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.369,
"b": 52.693,
"c": 44.357,
"alpha": 90.00,
"beta": 102.87,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.750,1.650],
"number_observations": 102769,
"number_observations_unique": 30130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4120,
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.545
},
{
"type": "R(meas)",
"value": 1.906
},
{
"type": "R(pim)",
"value": 1.093
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [54.750,9.030],
"number_observations": 778,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}