Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17aa69cdd9d04c7efba19ef92231705a",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.064,
"b": 135.064,
"c": 234.822,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.58,2.130],
"number_observations": 459408,
"number_observations_unique": 89332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 6.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.143
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.130],
"number_observations": 33961,
"number_observations_unique": 6594,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.304
},
{
"type": "R(meas)",
"value": 1.453
},
{
"type": "I/SigI",
"value": 1.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.150
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations": 31823,
"number_observations_unique": 6455,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.101
},
{
"type": "R(meas)",
"value": 1.234
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.930
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations": 32083,
"number_observations_unique": 6261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "I/SigI",
"value": 2.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.124
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations": 32712,
"number_observations_unique": 6075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "R(meas)",
"value": 0.764
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.385
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations": 31844,
"number_observations_unique": 5960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.343
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [2.550,2.460],
"number_observations": 30065,
"number_observations_unique": 5661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 3.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.311
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [2.640,2.550],
"number_observations": 28692,
"number_observations_unique": 5530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 4.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.188
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [2.750,2.640],
"number_observations": 26187,
"number_observations_unique": 5278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 5.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.962
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [2.870,2.750],
"number_observations": 26281,
"number_observations_unique": 5069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 6.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.185
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.010,2.870],
"number_observations": 25976,
"number_observations_unique": 4866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 7.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.338
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.180,3.010],
"number_observations": 24219,
"number_observations_unique": 4604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 8.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.260
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.370,3.180],
"number_observations": 22405,
"number_observations_unique": 4375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 10.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.121
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.600,3.370],
"number_observations": 19746,
"number_observations_unique": 4098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 11.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.818
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.890,3.600],
"number_observations": 19405,
"number_observations_unique": 3834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 12.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.061
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.260,3.890],
"number_observations": 18157,
"number_observations_unique": 3516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 13.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.164
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [4.760,4.260],
"number_observations": 15952,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.047
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [5.500,4.760],
"number_observations": 13212,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.705
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [6.740,5.500],
"number_observations": 12337,
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 13.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.236
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [9.530,6.740],
"number_observations": 9219,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 13.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.029
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [43.580,9.530],
"number_observations": 5132,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 14.050
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.142
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}