Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8a1c686d2b85cbeeacd25d900a23466",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 109.092,
"b": 49.163,
"c": 115.098,
"alpha": 90.00,
"beta": 91.36,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.25,1.650],
"number_observations_unique": 72307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 24707,
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "R(meas)",
"value": 1.360
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [45.210,9.040],
"number_observations": 3153,
"number_observations_unique": 488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}