Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d8d8fa9ea1e5fd9586b441098eecf538",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.95,
"b": 82.95,
"c": 133.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.210,2.620],
"number_observations": 319962,
"number_observations_unique": 16497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.620],
"number_observations": 24646,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.616
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [35.210,11.720],
"number_observations": 2624,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}