Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ff3af3cdea270846f6823fb96532796",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 86.35,
"b": 165.69,
"c": 167.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.220,1.800],
"number_observations": 673798,
"number_observations_unique": 110953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.270
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.073
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 50583,
"number_observations_unique": 8148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.208
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 49263,
"number_observations_unique": 7942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.203
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 47917,
"number_observations_unique": 7732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 4.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.197
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 46512,
"number_observations_unique": 7498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 5.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.203
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 45091,
"number_observations_unique": 7303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 7.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.174
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 43452,
"number_observations_unique": 7029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 9.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.182
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 41866,
"number_observations_unique": 6817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.940
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.141
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 40173,
"number_observations_unique": 6554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 12.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.130
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 38035,
"number_observations_unique": 6266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 14.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.070
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 36291,
"number_observations_unique": 6042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.140
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.006
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 34194,
"number_observations_unique": 5723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.975
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 32273,
"number_observations_unique": 5428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.120
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.946
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 29979,
"number_observations_unique": 5096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.330
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.883
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 27615,
"number_observations_unique": 4774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 31.680
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.784
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 25482,
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 36.920
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.795
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 23540,
"number_observations_unique": 3975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 41.330
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.922
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 21223,
"number_observations_unique": 3538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.850
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.999
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 18358,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 43.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.111
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 14303,
"number_observations_unique": 2348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 42.770
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.092
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.220,8.050],
"number_observations": 7648,
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.712
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}