Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41e5a62e15673308b1af3e76fce41155",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 51.263,
"b": 83.135,
"c": 93.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.280,1.600],
"number_observations": 330695,
"number_observations_unique": 53466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.600],
"number_observations": 14170,
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.234
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [93.280,8.740],
"number_observations": 2048,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}