Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b062c19906833d46d5d0a13c4b87ba97",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.429,
"b": 52.798,
"c": 44.611,
"alpha": 90.00,
"beta": 103.03,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.770,1.250],
"number_observations": 638607,
"number_observations_unique": 66162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 3964,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.414
},
{
"type": "R(meas)",
"value": 1.683
},
{
"type": "R(pim)",
"value": 0.898
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 57.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [54.770,6.730],
"number_observations": 6714,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}