Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c5d0b9d17cc2bbb29db26aaa3d22b56",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.63,
"b": 54.97,
"c": 113.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.032,1.500],
"number_observations_unique": 46601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 21.270
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.250
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations_unique": 3268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 5.720
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.879
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.361
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations_unique": 3174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.730
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.392
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 3127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 10.010
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.392
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 3027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 12.020
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.370
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 2929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 14.060
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.380
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 16.180
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.344
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.670
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.351
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 22.380
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.328
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 25.920
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.318
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.240,2.120],
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.620
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.289
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.370,2.240],
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.220
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.261
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.540,2.370],
"number_observations_unique": 2181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 32.030
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.254
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 2036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.580
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.232
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 38.630
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.131
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.890
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.079
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 40.190
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.969
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.710,4.740],
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 39.280
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.897
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [36.032,6.710],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 37.670
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.398
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}