Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3254c245f1f15ddc923beba5e02cef1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.40,
"b": 45.90,
"c": 89.35,
"alpha": 90.00,
"beta": 93.64,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.320,1.680],
"number_observations": 145045,
"number_observations_unique": 51138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "Completeness",
"value": 63.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [58.320,7.510],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
}
]
}