Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62f1a131254a502c24898c7615a813a3",
"space_group_name": "P 6 2 2",
"unit_cell": {
"a": 68.392,
"b": 68.392,
"c": 52.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.229,1.262],
"number_observations_unique": 15866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.585
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 36.03
},
{
"type": "CC(1/2)",
"value": 0.9995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.345,1.262],
"number_observations": 49389,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.667
},
{
"type": "R(meas)",
"value": 2.708
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 63.42
},
{
"type": "Redundancy",
"value": 34.09
},
{
"type": "CC(1/2)",
"value": 0.7034
}
]
},
{
"resolution_limits": [59.229,3.914],
"number_observations": 9877,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.45
},
{
"type": "CC(1/2)",
"value": 0.9993
}
]
}
]
}