Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "952adddcb1c0128a2e209c5e07b3db2c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.71,
"b": 45.30,
"c": 83.38,
"alpha": 90.00,
"beta": 102.26,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.910,1.660],
"number_observations": 173794,
"number_observations_unique": 52741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 13763,
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [38.910,7.420],
"number_observations": 2097,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 40.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}