Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc181e09b3c8f9b2a2408deb7872a0aa",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 138.38,
"b": 138.38,
"c": 138.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.850,4.100],
"number_observations": 21295,
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.570
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.992
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [4.200,4.100],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.983
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [4.320,4.200],
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.708
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.144
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [4.450,4.320],
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 3.640
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.125
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [4.580,4.450],
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.126
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [4.730,4.580],
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.075
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [4.900,4.730],
"number_observations_unique": 233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.948
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [5.080,4.900],
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 4.860
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.060
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [5.290,5.080],
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 5.140
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.810
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [5.530,5.290],
"number_observations_unique": 199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 4.660
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.191
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [5.800,5.530],
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.151
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [6.110,5.800],
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 5.050
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.271
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [6.480,6.110],
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 6.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.265
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [6.930,6.480],
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 8.920
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.208
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [7.480,6.930],
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.358
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [8.200,7.480],
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 11.890
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.490
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [9.160,8.200],
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.744
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [10.580,9.160],
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 14.730
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.577
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [12.960,10.580],
"number_observations_unique": 101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 15.470
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.277
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [18.330,12.960],
"number_observations_unique": 79,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.608
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [97.850,18.330],
"number_observations_unique": 49,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.680
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 6.102
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}