Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7c930ad1fc70f0bdc843997c27a4ccb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.99,
"b": 243.18,
"c": 60.50,
"alpha": 90.000,
"beta": 118.918,
"gamma": 90.000
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.100],
"number_observations_unique": 85876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 9.450
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.951
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 6254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 2.580
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.545
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 6167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.882
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations_unique": 6054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.929
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations_unique": 5889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.944
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 5680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 4.380
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.955
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations_unique": 5503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 4.940
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.965
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations_unique": 5291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 5.490
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.983
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations_unique": 5119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 6.130
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.984
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations_unique": 4879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 7.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.004
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations_unique": 4690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.010
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations_unique": 4482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 10.070
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.025
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations_unique": 4208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.022
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.890
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.024
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.760
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.010
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.030
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.022
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations_unique": 3044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.630
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.992
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations_unique": 2682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.060
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.054
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.070
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.057
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations_unique": 1741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 23.020
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.057
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50,9.390],
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.921
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}