Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71de2e9d9ef688cd8dbebf63a95954c6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.024,
"b": 27.381,
"c": 56.258,
"alpha": 90.00,
"beta": 99.49,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.400,1.190],
"number_observations": 173499,
"number_observations_unique": 33580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 615,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 24.200
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [30.400,6.520],
"number_observations": 1495,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}