Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d08040f4bdf97a1679a1072d6671a1b8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.16,
"b": 111.13,
"c": 138.18,
"alpha": 90.00,
"beta": 117.39,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.670,1.980],
"number_observations": 477213,
"number_observations_unique": 130870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 21958,
"number_observations_unique": 6404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.841
},
{
"type": "R(pim)",
"value": 1.147
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
},
{
"resolution_limits": [62.670,10.840],
"number_observations": 2890,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}