Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02f671b0392bdea9cc8bbd0193b98fca",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.169,
"b": 96.619,
"c": 57.945,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.930],
"number_observations": 110392,
"number_observations_unique": 17681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.930],
"number_observations": 6861,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [28.970,8.830],
"number_observations": 1316,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}