Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79e5d2f0e1686795b583558cac566cc7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.573,
"b": 96.601,
"c": 57.933,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.840],
"number_observations": 129865,
"number_observations_unique": 20228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 5089,
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.686
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 78.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [28.970,8.810],
"number_observations": 1346,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}