Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23b866658ff859d6f2b1c86e15d65192",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.48,
"b": 159.44,
"c": 179.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.600,2.750],
"number_observations": 516508,
"number_observations_unique": 76457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.756
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.750],
"number_observations": 39680,
"number_observations_unique": 5751,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.151
},
{
"type": "R(meas)",
"value": 3.410
},
{
"type": "I/SigI",
"value": 0.620
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [2.900,2.820],
"number_observations": 39526,
"number_observations_unique": 5599,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.110
},
{
"type": "R(meas)",
"value": 2.279
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.059
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [2.980,2.900],
"number_observations": 38315,
"number_observations_unique": 5440,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.696
},
{
"type": "R(meas)",
"value": 1.832
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.043
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [3.070,2.980],
"number_observations": 37136,
"number_observations_unique": 5326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.143
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.973
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [3.180,3.070],
"number_observations": 35759,
"number_observations_unique": 5132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.889
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.968
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [3.290,3.180],
"number_observations": 34421,
"number_observations_unique": 4998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.887
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [3.410,3.290],
"number_observations": 31969,
"number_observations_unique": 4836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.611
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.550,3.410],
"number_observations": 23687,
"number_observations_unique": 3814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 5.210
},
{
"type": "Completeness",
"value": 81.400
},
{
"type": "Redundancy",
"value": 6.211
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.710,3.550],
"number_observations": 22778,
"number_observations_unique": 3609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 5.470
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 6.311
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.890,3.710],
"number_observations": 28484,
"number_observations_unique": 4062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 7.012
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.100,3.890],
"number_observations": 23995,
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 6.877
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.350,4.100],
"number_observations": 26712,
"number_observations_unique": 3858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 17.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.924
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.650,4.350],
"number_observations": 24815,
"number_observations_unique": 3658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 23.410
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.784
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.020,4.650],
"number_observations": 21650,
"number_observations_unique": 3437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 24.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.299
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.500,5.020],
"number_observations": 19740,
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 24.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.277
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.150,5.500],
"number_observations": 20044,
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.948
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.100,6.150],
"number_observations": 17346,
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 31.090
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.859
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.700,7.100],
"number_observations": 14062,
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 42.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.442
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [12.300,8.700],
"number_observations": 10151,
"number_observations_unique": 1709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 54.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.940
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [63.600,12.300],
"number_observations": 6238,
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 61.410
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.257
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}