Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a352e94ffb39ee14c86419af28883dda",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.18,
"b": 45.22,
"c": 120.38,
"alpha": 90.00,
"beta": 92.77,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.994,2.799],
"number_observations_unique": 19048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 13.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.678
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations_unique": 1389,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.990
},
{
"type": "R(meas)",
"value": 2.065
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.885
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [2.950,2.870],
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.429
},
{
"type": "R(meas)",
"value": 1.482
},
{
"type": "I/SigI",
"value": 2.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.293
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [3.040,2.950],
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.229
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.122
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.944
},
{
"type": "R(meas)",
"value": 0.980
},
{
"type": "I/SigI",
"value": 3.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.010
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [3.230,3.130],
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.732
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.751
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 5.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.271
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.695
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 9.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.898
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.770,3.610],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 10.950
},
{
"type": "Completeness",
"value": 100.100
},
{
"type": "Redundancy",
"value": 14.342
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.960,3.770],
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 14.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.230
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.170,3.960],
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 18.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.015
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.430,4.170],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 22.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.850
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.730,4.430],
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 26.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.324
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.110,4.730],
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 26.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.355
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.600,5.110],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 25.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.785
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.260,5.600],
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 25.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.143
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.230,6.260],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 30.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.817
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.850,7.230],
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 39.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.013
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [12.520,8.850],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.922
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [19.994,12.520],
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 52.350
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.112
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}