Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "88f4d1a106de7a3d02529d809c87bfc3",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 81.31,
"b": 81.31,
"c": 106.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.65,1.695],
"number_observations_unique": 40382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 12.79
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.70],
"number_observations_unique": 2909,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.941
},
{
"type": "R(meas)",
"value": 3.073
},
{
"type": "CC(1/2)",
"value": 0.44
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.283
},
{
"type": "R(meas)",
"value": 2.385
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [1.84,1.79],
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.828
},
{
"type": "R(meas)",
"value": 1.911
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [1.9,1.84],
"number_observations_unique": 2731,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.859
},
{
"type": "R(meas)",
"value": 1.943
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [1.96,1.90],
"number_observations_unique": 2611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.03,1.96],
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.74
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.1,2.03],
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.19,2.10],
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.29,2.19],
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.36
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.4,2.29],
"number_observations_unique": 2211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.25
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.53,2.40],
"number_observations_unique": 2062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.68,2.53],
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.15
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.87,2.68],
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.09,2.87],
"number_observations_unique": 1742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.39,3.09],
"number_observations_unique": 1624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.79,3.39],
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.38,3.79],
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.36,4.38],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.58,5.36],
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.65,7.58],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}