Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0944f1c968dc87b1768a9d7c1d0a64e3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.771,
"b": 75.617,
"c": 110.197,
"alpha": 90.00,
"beta": 127.39,
"gamma": 90.00
},
"wavelengths": [0.72930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.875,2.802],
"number_observations_unique": 25397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.23
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.55
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.851,2.802],
"number_observations_unique": 1284,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.834
},
{
"type": "R(meas)",
"value": 3.119
},
{
"type": "R(pim)",
"value": 1.292
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [79.875,7.604],
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.16
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}