Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a3747a22cc8352fd3701864b9f509ee",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 50.027,
"b": 60.216,
"c": 126.432,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.22,1.650],
"number_observations": 281108,
"number_observations_unique": 45593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 13.240
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.166
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 11107,
"number_observations_unique": 2696,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.796
},
{
"type": "R(meas)",
"value": 4.344
},
{
"type": "I/SigI",
"value": 0.320
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 4.120
},
{
"type": "CC(1/2)",
"value": 0.208
}
]
},
{
"resolution_limits": [1.740,1.690],
"number_observations": 13603,
"number_observations_unique": 2940,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.746
},
{
"type": "R(meas)",
"value": 3.092
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 4.627
},
{
"type": "CC(1/2)",
"value": 0.491
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 17247,
"number_observations_unique": 3149,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.893
},
{
"type": "R(meas)",
"value": 2.091
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.477
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 20852,
"number_observations_unique": 3101,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.371
},
{
"type": "R(meas)",
"value": 1.487
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.724
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [1.910,1.840],
"number_observations": 20653,
"number_observations_unique": 3059,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.045
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.752
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [1.970,1.910],
"number_observations": 19758,
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 2.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.657
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations": 17997,
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.341
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations": 18302,
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.636
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.220,2.130],
"number_observations": 18005,
"number_observations_unique": 2635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 7.290
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.833
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.330,2.220],
"number_observations": 16877,
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.673
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.460,2.330],
"number_observations": 15457,
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.395
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.610,2.460],
"number_observations": 15067,
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 16.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.511
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.790,2.610],
"number_observations": 14318,
"number_observations_unique": 2144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 21.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.678
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.010,2.790],
"number_observations": 13194,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.551
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.300,3.010],
"number_observations": 11232,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.003
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.690,3.300],
"number_observations": 10954,
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 41.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.474
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.260,3.690],
"number_observations": 9401,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 46.220
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.177
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.220,4.260],
"number_observations": 7496,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.540
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.811
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.380,5.220],
"number_observations": 6286,
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 48.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.079
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [63.220,7.380],
"number_observations": 3302,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 49.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.309
}
]
}
]
}