Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b4ba5fcab175656f805f8ce8622f6ba",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 114.06,
"b": 114.06,
"c": 88.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.37,1.57],
"number_observations_unique": 179974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07400000000000001
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 12.87
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.57],
"number_observations_unique": 28878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.77
},
{
"type": "R(meas)",
"value": 0.851
},
{
"type": "CC(1/2)",
"value": 0.75
}
]
},
{
"resolution_limits": [1.78,1.66],
"number_observations_unique": 27461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.45799999999999996
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [1.92,1.78],
"number_observations_unique": 25459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.1,1.92],
"number_observations_unique": 23472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.15
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.35,2.10],
"number_observations_unique": 21156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10300000000000001
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.71,2.35],
"number_observations_unique": 18788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.32,2.71],
"number_observations_unique": 15766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.68,3.32],
"number_observations_unique": 12228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [34.37,4.68],
"number_observations_unique": 6766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037000000000000005
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}