Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "416d0b1d18eb8065b2511de0ffb1c971",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.72,
"b": 116.66,
"c": 180.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.550],
"number_observations_unique": 257945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 13.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.202
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 18902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.979
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 18496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.181
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 17941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.192
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 17455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 5.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.206
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 16909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 6.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.207
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations_unique": 16358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.208
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 15833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.224
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations_unique": 15160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 11.180
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.227
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations_unique": 14635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 13.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.239
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 13992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.240
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.248
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations_unique": 13302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 17.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.257
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations_unique": 12649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 18.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.256
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations_unique": 11909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.254
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations_unique": 11115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 21.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.259
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations_unique": 10211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 24.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.256
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations_unique": 9296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 27.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.255
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations_unique": 8241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 31.010
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.228
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations_unique": 6972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 32.960
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.211
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations_unique": 5463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.470
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.156
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,6.930],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 29.460
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.798
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}