Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f7217ff681fd19732d13b8a2a3c5ed9f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.841,
"b": 184.988,
"c": 289.013,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99989],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.90,2.580],
"number_observations": 869307,
"number_observations_unique": 127176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.835
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.580],
"number_observations": 64293,
"number_observations_unique": 9238,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.733
},
{
"type": "R(meas)",
"value": 2.954
},
{
"type": "I/SigI",
"value": 0.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.960
},
{
"type": "CC(1/2)",
"value": 0.387
}
]
},
{
"resolution_limits": [2.720,2.650],
"number_observations": 61546,
"number_observations_unique": 9048,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.113
},
{
"type": "R(meas)",
"value": 2.289
},
{
"type": "I/SigI",
"value": 0.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.802
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
},
{
"resolution_limits": [2.800,2.720],
"number_observations": 56941,
"number_observations_unique": 8838,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.473
},
{
"type": "R(meas)",
"value": 1.605
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.443
},
{
"type": "CC(1/2)",
"value": 0.670
}
]
},
{
"resolution_limits": [2.880,2.800],
"number_observations": 57518,
"number_observations_unique": 8607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.145
},
{
"type": "R(meas)",
"value": 1.243
},
{
"type": "I/SigI",
"value": 1.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.683
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [2.980,2.880],
"number_observations": 59250,
"number_observations_unique": 8302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.137
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.080,2.980],
"number_observations": 58006,
"number_observations_unique": 8022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "R(meas)",
"value": 0.690
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.231
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [3.200,3.080],
"number_observations": 56022,
"number_observations_unique": 7779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.202
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.330,3.200],
"number_observations": 53288,
"number_observations_unique": 7488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 5.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.116
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.480,3.330],
"number_observations": 50672,
"number_observations_unique": 7190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 8.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.048
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.650,3.480],
"number_observations": 47613,
"number_observations_unique": 6882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 11.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.918
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.850,3.650],
"number_observations": 44508,
"number_observations_unique": 6586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.758
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.080,3.850],
"number_observations": 39091,
"number_observations_unique": 6233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 18.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.272
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.360,4.080],
"number_observations": 38440,
"number_observations_unique": 5860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 23.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.560
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.710,4.360],
"number_observations": 38817,
"number_observations_unique": 5492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.068
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.160,4.710],
"number_observations": 35498,
"number_observations_unique": 5048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.032
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.770,5.160],
"number_observations": 32012,
"number_observations_unique": 4634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 30.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.908
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.660,5.770],
"number_observations": 27104,
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.669
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.160,6.660],
"number_observations": 21036,
"number_observations_unique": 3485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.036
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.540,8.160],
"number_observations": 17776,
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 47.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [57.040,11.540],
"number_observations": 9876,
"number_observations_unique": 1622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 47.960
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.089
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}