Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3951955a93835ed18a8dbbf49b593b7b",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.423,
"b": 135.423,
"c": 235.489,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.56,2.170],
"number_observations": 440621,
"number_observations_unique": 84947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.187
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.170],
"number_observations": 31432,
"number_observations_unique": 6282,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.476
},
{
"type": "R(meas)",
"value": 1.651
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.004
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations": 28496,
"number_observations_unique": 5939,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.745
},
{
"type": "R(meas)",
"value": 1.964
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.798
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations": 32001,
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 2.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.342
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [2.430,2.350],
"number_observations": 31417,
"number_observations_unique": 5811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.406
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [2.510,2.430],
"number_observations": 30045,
"number_observations_unique": 5618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 3.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.348
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [2.590,2.510],
"number_observations": 28564,
"number_observations_unique": 5429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 4.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.261
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations": 26408,
"number_observations_unique": 5253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 5.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.027
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations": 25380,
"number_observations_unique": 5040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 6.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.036
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations": 26267,
"number_observations_unique": 4840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 8.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.427
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.070,2.930],
"number_observations": 25111,
"number_observations_unique": 4648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 10.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.403
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.230,3.070],
"number_observations": 23617,
"number_observations_unique": 4404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.363
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.430,3.230],
"number_observations": 21535,
"number_observations_unique": 4160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 18.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.177
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.670,3.430],
"number_observations": 18752,
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 22.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.793
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.960,3.670],
"number_observations": 19041,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 28.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.244
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.340,3.960],
"number_observations": 17838,
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.346
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.850,4.340],
"number_observations": 15768,
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 36.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.190
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.600,4.850],
"number_observations": 12798,
"number_observations_unique": 2663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 35.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.806
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.860,5.600],
"number_observations": 12343,
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.447
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.700,6.860],
"number_observations": 8840,
"number_observations_unique": 1740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 42.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.080
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.560,9.700],
"number_observations": 4968,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 46.520
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.252
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}