Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "353a80bdea1c2a9d76ef4785dd8fff86",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 133.80,
"b": 133.80,
"c": 151.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.59,2.3],
"number_observations_unique": 69625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 12.28
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.36,2.30],
"number_observations_unique": 5111,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.255
},
{
"type": "R(meas)",
"value": 1.311
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.42,2.36],
"number_observations_unique": 4994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.02
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 4887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.57,2.49],
"number_observations_unique": 4687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.66,2.57],
"number_observations_unique": 4584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.56
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.75,2.66],
"number_observations_unique": 4440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.85,2.75],
"number_observations_unique": 4313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.45
},
{
"type": "R(meas)",
"value": 0.47
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.97,2.85],
"number_observations_unique": 4102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.1,2.97],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.34
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.25,3.10],
"number_observations_unique": 3734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.43,3.25],
"number_observations_unique": 3525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [3.64,3.43],
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.89,3.64],
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.2,3.89],
"number_observations_unique": 3006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.6,4.20],
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.14,4.60],
"number_observations_unique": 2517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.94,5.14],
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.27,5.94],
"number_observations_unique": 1890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [10.29,7.27],
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [29.59,10.29],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}