Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8756fd0e80b684d8ef6642028633769",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.84,
"b": 42.56,
"c": 101.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.225,1.500],
"number_observations_unique": 31189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 15.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.950
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations_unique": 2226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.289
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.922
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.756
},
{
"type": "I/SigI",
"value": 3.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.986
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "I/SigI",
"value": 3.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.485
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.869
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.407
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 6.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.169
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.747
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.268
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 13.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.577
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.230,2.120],
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.054
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.370,2.230],
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 20.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.070
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.530,2.370],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 21.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.228
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.740,2.530],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 26.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.836
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 32.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.270
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 36.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.826
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 47.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.817
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations_unique": 872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 57.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.162
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.700,4.740],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.475
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.225,6.700],
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 55.090
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.009
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}