Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acd34f552074cbe5bb1dab057b8e0add",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.101,
"b": 91.980,
"c": 119.696,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.99,1.730],
"number_observations": 647346,
"number_observations_unique": 97372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.648
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 44122,
"number_observations_unique": 7087,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.316
},
{
"type": "R(meas)",
"value": 1.435
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.226
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [1.820,1.770],
"number_observations": 47378,
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 1.129
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [1.880,1.820],
"number_observations": 45658,
"number_observations_unique": 6782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.732
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations": 42376,
"number_observations_unique": 6550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.470
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [2.000,1.930],
"number_observations": 41157,
"number_observations_unique": 6354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 3.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.477
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations": 42692,
"number_observations_unique": 6171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 4.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.918
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations": 41033,
"number_observations_unique": 5968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.876
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 38645,
"number_observations_unique": 5725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.750
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.330,2.230],
"number_observations": 35621,
"number_observations_unique": 5525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.447
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.450,2.330],
"number_observations": 34739,
"number_observations_unique": 5271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 10.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.591
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.580,2.450],
"number_observations": 34933,
"number_observations_unique": 5024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 12.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.953
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.740,2.580],
"number_observations": 32890,
"number_observations_unique": 4780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 14.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.881
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.920,2.740],
"number_observations": 30155,
"number_observations_unique": 4491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 17.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.715
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.160,2.920],
"number_observations": 26654,
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 21.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.380
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.460,3.160],
"number_observations": 26971,
"number_observations_unique": 3875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.960
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.870,3.460],
"number_observations": 24014,
"number_observations_unique": 3528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.807
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.470,3.870],
"number_observations": 19794,
"number_observations_unique": 3121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.342
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.470,4.470],
"number_observations": 17625,
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 34.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.616
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.740,5.470],
"number_observations": 13607,
"number_observations_unique": 2107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.458
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [45.990,7.740],
"number_observations": 7282,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 38.670
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.925
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}