Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8051b27a53e9afa87331875956b3ef59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.545,
"b": 92.279,
"c": 120.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.10,1.980],
"number_observations": 436258,
"number_observations_unique": 66237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 15.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.586
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 31746,
"number_observations_unique": 4832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.933
},
{
"type": "I/SigI",
"value": 2.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.570
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations": 32896,
"number_observations_unique": 4750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.925
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations": 31808,
"number_observations_unique": 4619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 3.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.886
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 30333,
"number_observations_unique": 4448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.819
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 24321,
"number_observations_unique": 4102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.929
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations": 26674,
"number_observations_unique": 4222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 5.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.318
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.460,2.370],
"number_observations": 26247,
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.487
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.560,2.460],
"number_observations": 27268,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 9.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.961
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.670,2.560],
"number_observations": 26105,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 11.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.921
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.800,2.670],
"number_observations": 24683,
"number_observations_unique": 3596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 14.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.864
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.950,2.800],
"number_observations": 23021,
"number_observations_unique": 3431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 17.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.710
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations": 20660,
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 21.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.353
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations": 20540,
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.708
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations": 19551,
"number_observations_unique": 2867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 30.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.819
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations": 16189,
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 30.980
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.165
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations": 14775,
"number_observations_unique": 2418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 37.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.110
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations": 13480,
"number_observations_unique": 2142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 40.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.293
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations": 12096,
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 39.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.613
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations": 8708,
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 40.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.006
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.140,8.850],
"number_observations": 5157,
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 50.110
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.025
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}