Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dd8a9c78cfa02eeaa7547c52ae7dbe9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.455,
"b": 102.455,
"c": 86.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.820,1.825],
"number_observations": 585446,
"number_observations_unique": 40804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.825],
"number_observations": 33478,
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [45.820,8.980],
"number_observations": 5015,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 54.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}