Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37b3e2bcfb04474c160f3ac74f269cf1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.254,
"b": 96.600,
"c": 58.007,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.960],
"number_observations": 84050,
"number_observations_unique": 16625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 2505,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [29.000,8.770],
"number_observations": 1366,
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 90.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}