Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8325f6bbba7bd787493dc07fd58b6fcc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.742,
"b": 52.785,
"c": 44.390,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.850,1.910],
"number_observations": 69811,
"number_observations_unique": 19769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 4784,
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.214
},
{
"type": "R(meas)",
"value": 2.591
},
{
"type": "R(pim)",
"value": 1.325
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [54.850,8.950],
"number_observations": 808,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}