Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfa1f4449db8b02d8ff36ab5b72f961a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 180.990,
"b": 59.108,
"c": 66.848,
"alpha": 90.0,
"beta": 94.6,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.100,2.100],
"number_observations": 285529,
"number_observations_unique": 40992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 23953,
"number_observations_unique": 3366,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.018
},
{
"type": "R(meas)",
"value": 2.177
},
{
"type": "R(pim)",
"value": 0.811
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [45.100,8.910],
"number_observations": 3126,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}