Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12bcc784c0270e67e94358c87fe739e0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.751,
"b": 45.441,
"c": 83.437,
"alpha": 90.00,
"beta": 102.22,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.480,1.620],
"number_observations": 203720,
"number_observations_unique": 57480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 15162,
"number_observations_unique": 4193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [28.480,7.220],
"number_observations": 2406,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}