Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f00711b201927485d0a97d9558d3f7c",
"space_group_name": "P 3",
"unit_cell": {
"a": 85.17,
"b": 85.17,
"c": 42.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.99,1.87],
"number_observations_unique": 27828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 9.50
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.87],
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5710000000000001
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "CC(1/2)",
"value": 0.7120000000000001
}
]
},
{
"resolution_limits": [1.97,1.92],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.49200000000000005
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [2.03,1.97],
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "CC(1/2)",
"value": 0.81
}
]
},
{
"resolution_limits": [2.09,2.03],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32899999999999996
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [2.16,2.09],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.24,2.16],
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.32,2.24],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "CC(1/2)",
"value": 0.92
}
]
},
{
"resolution_limits": [2.41,2.32],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
{
"resolution_limits": [2.52,2.41],
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.64,2.52],
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14800000000000002
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.79,2.64],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.96,2.79],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.14300000000000002
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.16,2.96],
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.13699999999999998
},
{
"type": "CC(1/2)",
"value": 0.9690000000000001
}
]
},
{
"resolution_limits": [3.41,3.16],
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11599999999999999
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.74,3.41],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [4.18,3.74],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.11800000000000001
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.83,4.18],
"number_observations_unique": 852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "CC(1/2)",
"value": 0.9740000000000001
}
]
},
{
"resolution_limits": [5.91,4.83],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10099999999999999
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [8.36,5.91],
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [20,8.36],
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}