Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8cb0d7500401b989a836e9774ff00c9e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.62,
"b": 81.62,
"c": 135.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.960,2.020],
"number_observations": 697512,
"number_observations_unique": 34827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 52831,
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.890
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [37.960,9.030],
"number_observations": 6801,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 60.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}