Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6a2525e1514905aa86ceb7b7de3b9585",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.776,
"b": 88.776,
"c": 39.463,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.390,1.020],
"number_observations": 1007528,
"number_observations_unique": 156194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 42844,
"number_observations_unique": 7605,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.740
},
{
"type": "R(meas)",
"value": 1.919
},
{
"type": "R(pim)",
"value": 0.792
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
{
"resolution_limits": [44.390,5.590],
"number_observations": 7092,
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}