Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a380b914cfa96e6e4284a9045c260fd",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 68.81,
"b": 90.26,
"c": 60.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.435,1.900],
"number_observations_unique": 30104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 16.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.835
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 2.080
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.733
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 2132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.555
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 4.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.173
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.661
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.172
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 9.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.514
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.977
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.860
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 13.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.134
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 15.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.114
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 17.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.130
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.102
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.124
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 30.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.075
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.066
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 38.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.050
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 41.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.026
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.962
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 37.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.435,8.500],
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.850
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.097
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}