Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7ee1758f810bdd51e3a64a194b621e4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.40,
"b": 449.82,
"c": 621.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [147.220,2.500],
"number_observations": 12001413,
"number_observations_unique": 1984527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 8.730
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.047
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations": 899268,
"number_observations_unique": 146559,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.989
},
{
"type": "R(meas)",
"value": 2.172
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.136
},
{
"type": "CC(1/2)",
"value": 0.192
}
]
},
{
"resolution_limits": [2.640,2.560],
"number_observations": 886871,
"number_observations_unique": 142830,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.603
},
{
"type": "R(meas)",
"value": 1.749
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.209
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 855432,
"number_observations_unique": 139141,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.273
},
{
"type": "R(meas)",
"value": 1.390
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.148
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 818356,
"number_observations_unique": 135018,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.061
},
{
"type": "CC(1/2)",
"value": 0.476
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 768909,
"number_observations_unique": 130867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "I/SigI",
"value": 2.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.875
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 690733,
"number_observations_unique": 124921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.529
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 775737,
"number_observations_unique": 122182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.349
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 750153,
"number_observations_unique": 117819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 6.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.367
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 710722,
"number_observations_unique": 113020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.288
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 669732,
"number_observations_unique": 107893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 9.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.207
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 626299,
"number_observations_unique": 102798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 11.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.093
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 575480,
"number_observations_unique": 97270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 13.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.916
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 508796,
"number_observations_unique": 91159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.850
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.581
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 464813,
"number_observations_unique": 83338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 16.960
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.577
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 483325,
"number_observations_unique": 78439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.690
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.162
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 436462,
"number_observations_unique": 71043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 21.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.144
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.450,5.590],
"number_observations": 387074,
"number_observations_unique": 62936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.150
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.910,6.450],
"number_observations": 313602,
"number_observations_unique": 53447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.868
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 239004,
"number_observations_unique": 40716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 26.140
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.870
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [147.220,11.180],
"number_observations": 140645,
"number_observations_unique": 23131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.190
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.080
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}