Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d77fc91c0782e231df6c5d3c6cbe563",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 24.241,
"b": 33.849,
"c": 58.863,
"alpha": 90.00,
"beta": 97.81,
"gamma": 90.00
},
"wavelengths": [2.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.016,1.7980],
"number_observations_unique": 16247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.224
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 5.450
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 2.970
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 5.930
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.977
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.815
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.206
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.570
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.229
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 10.610
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.207
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.161
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.070
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.870
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 12.940
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.318
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.540,2.430],
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.010
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.448
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.680,2.540],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.960
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.463
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.840,2.680],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 13.260
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.425
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.040,2.840],
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.372
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.280,3.040],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.279
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.600,3.280],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.099
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 13.190
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.197
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.640,4.020],
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.716
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.690,4.640],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 15.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.698
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [8.040,5.690],
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.677
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [24.016,8.040],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 16.810
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.462
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}