Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90dce4e56c48453a90c8b5c0de27b429",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.42,
"b": 105.92,
"c": 112.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.540,2.180],
"number_observations": 97927,
"number_observations_unique": 22272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.180],
"number_observations": 8221,
"number_observations_unique": 1897,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.555
},
{
"type": "R(pim)",
"value": 1.393
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [40.540,8.990],
"number_observations": 1396,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}