Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc31f1b4145f0f03979b678cb214fc21",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 138.13,
"b": 138.13,
"c": 127.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.540,1.520],
"number_observations": 1230530,
"number_observations_unique": 93906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.104
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 89913,
"number_observations_unique": 6875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.703
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 4.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.078
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations": 83855,
"number_observations_unique": 6705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.506
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations": 88203,
"number_observations_unique": 6525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.518
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations": 85340,
"number_observations_unique": 6309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 9.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.527
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations": 82766,
"number_observations_unique": 6162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.432
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.820,1.760],
"number_observations": 79601,
"number_observations_unique": 5958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 13.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.360
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.890,1.820],
"number_observations": 75684,
"number_observations_unique": 5750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 17.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.162
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations": 71016,
"number_observations_unique": 5540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 21.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.819
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.050,1.960],
"number_observations": 63697,
"number_observations_unique": 5309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.998
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.150,2.050],
"number_observations": 66454,
"number_observations_unique": 5089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 31.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.058
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.270,2.150],
"number_observations": 60562,
"number_observations_unique": 4860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 36.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.461
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.400,2.270],
"number_observations": 63714,
"number_observations_unique": 4593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 41.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.872
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.570,2.400],
"number_observations": 59941,
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 44.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.853
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.780,2.570],
"number_observations": 55377,
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 48.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.626
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.040,2.780],
"number_observations": 49311,
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 51.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.273
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.400,3.040],
"number_observations": 43064,
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 55.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.703
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.920,3.400],
"number_observations": 36826,
"number_observations_unique": 3019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 60.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.198
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.810,3.920],
"number_observations": 32444,
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 64.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.688
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.800,4.810],
"number_observations": 28305,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 66.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.943
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [19.540,6.800],
"number_observations": 14457,
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 66.520
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 12.805
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}