Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ead6f8c91e87557385dbef32c1249676",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.54,
"b": 448.51,
"c": 620.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [147.200,2.400],
"number_observations": 13389343,
"number_observations_unique": 2227511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.011
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 969649,
"number_observations_unique": 163896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.672
},
{
"type": "R(meas)",
"value": 1.830
},
{
"type": "I/SigI",
"value": 1.040
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.916
},
{
"type": "CC(1/2)",
"value": 0.201
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations": 971324,
"number_observations_unique": 160086,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.398
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "I/SigI",
"value": 1.280
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.068
},
{
"type": "CC(1/2)",
"value": 0.279
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations": 950286,
"number_observations_unique": 155853,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 1.590
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.097
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations": 917334,
"number_observations_unique": 151459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.921
},
{
"type": "R(meas)",
"value": 1.006
},
{
"type": "I/SigI",
"value": 1.940
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.057
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 883949,
"number_observations_unique": 146819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.021
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 838786,
"number_observations_unique": 142286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 3.080
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.895
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 747089,
"number_observations_unique": 134985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 4.060
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.535
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations": 821895,
"number_observations_unique": 132318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.212
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations": 805987,
"number_observations_unique": 127105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.341
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations": 761868,
"number_observations_unique": 121472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 9.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.272
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations": 714077,
"number_observations_unique": 115686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.173
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.790,3.580],
"number_observations": 659522,
"number_observations_unique": 109527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.022
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.060,3.790],
"number_observations": 598967,
"number_observations_unique": 102838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 14.470
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.824
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations": 502338,
"number_observations_unique": 93513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 15.350
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.372
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations": 532568,
"number_observations_unique": 88117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.670
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.044
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations": 493902,
"number_observations_unique": 80110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 19.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.165
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations": 436498,
"number_observations_unique": 70734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 19.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.171
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations": 358230,
"number_observations_unique": 59752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.880
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.995
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [10.730,7.590],
"number_observations": 264890,
"number_observations_unique": 45399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 21.520
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.835
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [147.200,10.730],
"number_observations": 160184,
"number_observations_unique": 25556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 24.540
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.268
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}