Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5261cb0d48a17c88d973e0468016235c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.308,
"b": 39.543,
"c": 49.650,
"alpha": 90.00,
"beta": 103.23,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.330,1.800],
"number_observations": 203072,
"number_observations_unique": 30388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations": 18919,
"number_observations_unique": 2961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.934
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [48.330,6.970],
"number_observations": 3709,
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}