Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ed969dd55ed5a3648f78f2cb8cd2714",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 169.0,
"b": 169.0,
"c": 127.0,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.26,2.9],
"number_observations_unique": 41295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 13.36
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.4
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [2.98,2.90],
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.7889999999999997
},
{
"type": "R(meas)",
"value": 2.846
},
{
"type": "CC(1/2)",
"value": 0.47700000000000004
}
]
},
{
"resolution_limits": [3.06,2.98],
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.124
},
{
"type": "R(meas)",
"value": 2.165
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [3.15,3.06],
"number_observations_unique": 2865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.679
},
{
"type": "R(meas)",
"value": 1.71
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [3.24,3.15],
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.288
},
{
"type": "R(meas)",
"value": 1.3130000000000002
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [3.35,3.24],
"number_observations_unique": 2697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.98
},
{
"type": "R(meas)",
"value": 0.9990000000000001
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
{
"resolution_limits": [3.47,3.35],
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.6,3.47],
"number_observations_unique": 2508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [3.74,3.60],
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [3.91,3.74],
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.32299999999999995
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.1,3.91],
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.32,4.10],
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.18100000000000002
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.59,4.32],
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14300000000000002
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.9,4.59],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.29,4.90],
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.8,5.29],
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.48,5.80],
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.11599999999999999
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [7.49,6.48],
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [9.17,7.49],
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [12.97,9.17],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [49.26,12.97],
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}