Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2fb4cc3a1e417f02d25d5a074d1d9bf4",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.816,
"b": 88.816,
"c": 39.498,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.410,0.990],
"number_observations": 1068522,
"number_observations_unique": 170025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 31684,
"number_observations_unique": 7395,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.187
},
{
"type": "R(meas)",
"value": 2.482
},
{
"type": "R(pim)",
"value": 1.140
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [44.410,5.420],
"number_observations": 7780,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}