Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a0eb4b250a34762d96b44988a80ddcf",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.88,
"b": 101.12,
"c": 108.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.841,1.850],
"number_observations_unique": 35536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 37.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.802
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.024
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.314
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 6.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.565
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 8.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.356
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 11.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.511
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 16.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.255
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 18.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.937
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations_unique": 2099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.711
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 26.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.737
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 32.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.573
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations_unique": 1820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 37.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.523
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 45.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.636
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 59.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.616
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations_unique": 1529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 71.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 88.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.583
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 107.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.481
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 123.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.317
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 110.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.279
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 104.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.857
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [45.841,8.270],
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 129.030
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.211
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}