Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "553477b793b14bd94634ac0c69dc1c12",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.908,
"b": 67.346,
"c": 333.538,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [333.540,1.690],
"number_observations": 515129,
"number_observations_unique": 82464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 37986,
"number_observations_unique": 6056,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.501
},
{
"type": "R(meas)",
"value": 1.637
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [333.540,7.560],
"number_observations": 5898,
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}