Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0c066d2fee364e502e2a5f070d4d3a4b",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 191.5,
"b": 191.5,
"c": 191.5,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.36999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.88,2.75],
"number_observations_unique": 30419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 3.75
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 23.58
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.92,2.75],
"number_observations_unique": 4729,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.689
},
{
"type": "R(meas)",
"value": 3.375
},
{
"type": "CC(1/2)",
"value": 0.085
}
]
},
{
"resolution_limits": [3.12,2.92],
"number_observations_unique": 4456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.748
},
{
"type": "R(meas)",
"value": 2.177
},
{
"type": "CC(1/2)",
"value": 0.15
}
]
},
{
"resolution_limits": [3.37,3.12],
"number_observations_unique": 4218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.906
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [3.69,3.37],
"number_observations_unique": 3866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [4.12,3.69],
"number_observations_unique": 3486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [4.75,4.12],
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.17
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [5.8,4.75],
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [8.15,5.80],
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [47.88,8.15],
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}