Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b073a1c42c13ca01ba5af986babde303",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.964,
"b": 53.450,
"c": 45.029,
"alpha": 90.00,
"beta": 101.83,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.648,1.990],
"number_observations": 123190,
"number_observations_unique": 35505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.290
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.470
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 2589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 1.870
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.483
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 2.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.543
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 2490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.515
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 3.980
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.457
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.300,2.230],
"number_observations_unique": 2303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 5.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.284
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.380,2.300],
"number_observations_unique": 2316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 6.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.479
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.470,2.380],
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.595
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.570,2.470],
"number_observations_unique": 2107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.550
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.680,2.570],
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 11.950
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.457
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.810,2.680],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.610
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.970,2.810],
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 19.530
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.494
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.150,2.970],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.030
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.574
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.360,3.150],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 29.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.524
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.630,3.360],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.330
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.331
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.980,3.630],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 40.010
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.487
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.450,3.980],
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 100.200
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.140,4.450],
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.290,5.140],
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 42.340
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.368
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.900,6.290],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 45.770
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.459
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [38.648,8.900],
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 48.010
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.243
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}