Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84b01336e8f97dfad0417d156bb7e63b",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.83,
"b": 125.83,
"c": 41.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.460,1.550],
"number_observations": 546542,
"number_observations_unique": 54854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 41895,
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.251
},
{
"type": "R(meas)",
"value": 2.368
},
{
"type": "R(pim)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [31.460,6.930],
"number_observations": 6568,
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}