Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65e04c146a2789fafd10ea7d06ae4733",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.835,
"b": 67.949,
"c": 331.972,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [331.972,1.81],
"number_observations": 490138,
"number_observations_unique": 67273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.818,1.81],
"number_observations": 4805,
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "R(pim)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [331.972,8.409],
"number_observations": 4771,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}