Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d42666106b65b8d752ecca77715e7ded",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.178,
"b": 54.172,
"c": 80.557,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.28,1.310],
"number_observations": 220389,
"number_observations_unique": 52195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.22
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.310],
"number_observations": 9665,
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 1.580
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [1.380,1.350],
"number_observations": 16355,
"number_observations_unique": 3766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [1.420,1.380],
"number_observations": 15837,
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [1.470,1.420],
"number_observations": 14772,
"number_observations_unique": 3566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 3.320
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [1.510,1.470],
"number_observations": 14931,
"number_observations_unique": 3478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.570,1.510],
"number_observations": 15109,
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.960
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.630,1.570],
"number_observations": 14228,
"number_observations_unique": 3226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 7.330
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.690,1.630],
"number_observations": 13449,
"number_observations_unique": 3125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 8.750
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.770,1.690],
"number_observations": 12440,
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.850,1.770],
"number_observations": 13016,
"number_observations_unique": 2883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.950,1.850],
"number_observations": 12253,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 16.620
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.070,1.950],
"number_observations": 11325,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 21.070
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.220,2.070],
"number_observations": 9895,
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.150
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.390,2.220],
"number_observations": 10081,
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 26.760
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.620,2.390],
"number_observations": 9280,
"number_observations_unique": 2097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.180
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.930,2.620],
"number_observations": 8031,
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.110
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.390,2.930],
"number_observations": 6584,
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.470
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.150,3.390],
"number_observations": 6108,
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 35.920
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.860,4.150],
"number_observations": 4393,
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [40.28,5.860],
"number_observations": 2637,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 34.810
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}