Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12928fc3fb74e1fea5e23796a9bd42df",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 126.336,
"b": 126.336,
"c": 82.420,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.580,1.900],
"number_observations_unique": 59936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.193
},
{
"type": "R(meas)",
"value": 1.279
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [45.580,9.110],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}