Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "062393458ebbb4a3ad847aaee82d04ce",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 76.934,
"b": 36.148,
"c": 85.599,
"alpha": 90.00,
"beta": 99.95,
"gamma": 90.00
},
"wavelengths": [0.97907],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.060,1.730],
"number_observations_unique": 44707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.730],
"number_observations": 23321,
"number_observations_unique": 6991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [52.060,5.470],
"number_observations": 4683,
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}