Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc2d2a41710757cc54c86e75ec799e42",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.943,
"b": 112.984,
"c": 110.211,
"alpha": 90.00,
"beta": 90.37,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.79],
"number_observations_unique": 36360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 1842,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.785
},
{
"type": "R(meas)",
"value": 1.954
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.459
},
{
"type": "R(meas)",
"value": 1.595
},
{
"type": "R(pim)",
"value": 0.639
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [2.96,2.90],
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.239
},
{
"type": "R(meas)",
"value": 1.352
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [3.02,2.96],
"number_observations_unique": 1826,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.030
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [3.08,3.02],
"number_observations_unique": 1802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.782
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [3.15,3.08],
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [3.23,3.15],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.32,3.23],
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.42,3.32],
"number_observations_unique": 1772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.53,3.42],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.65,3.53],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.80,3.65],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.97,3.80],
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.18,3.97],
"number_observations_unique": 1802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.44,4.18],
"number_observations_unique": 1820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.79,4.44],
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.27,4.79],
"number_observations_unique": 1826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.03,5.27],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.59,6.03],
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.00,7.59],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}