Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10b5e64808b24a2fc4ab29bff3c4f959",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.47,
"b": 59.14,
"c": 102.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.770,1.500],
"number_observations_unique": 32509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.343
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations_unique": 2342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.180
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 4.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.905
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations_unique": 2269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.478
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 2163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 7.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.645
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 9.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.555
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 2057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.471
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 14.670
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.125
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.331
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 24.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.702
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 29.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.628
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.230,2.120],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 32.290
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.494
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.370,2.230],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 33.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.006
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.530,2.370],
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 37.450
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.740,2.530],
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.710
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.706
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 46.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.455
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 48.580
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.024
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 51.510
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.925
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations_unique": 920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 54.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.226
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.700,4.740],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 51.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.744
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [19.770,6.700],
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.752
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}