Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "239a3c89f4b580d906910210107e786d",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.495,
"b": 42.495,
"c": 217.174,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.290,2.190],
"number_observations": 266813,
"number_observations_unique": 11185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.190],
"number_observations": 38921,
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 10.326
},
{
"type": "R(pim)",
"value": 2.066
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [54.290,6.930],
"number_observations": 7986,
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}