Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c40777fda3467a8043f7aaa8600d45cb",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.431,
"b": 135.431,
"c": 234.211,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.34,2.350],
"number_observations": 183052,
"number_observations_unique": 63828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 12.290
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.868
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 14039,
"number_observations_unique": 4843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.899
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations": 13967,
"number_observations_unique": 4804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "I/SigI",
"value": 1.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.907
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations": 13669,
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.908
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations": 13132,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.908
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [2.710,2.630],
"number_observations": 10537,
"number_observations_unique": 3870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.723
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations": 12379,
"number_observations_unique": 4233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 4.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.924
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.910,2.810],
"number_observations": 12052,
"number_observations_unique": 4117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 6.280
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.927
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.030,2.910],
"number_observations": 11454,
"number_observations_unique": 3915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 7.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.926
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.170,3.030],
"number_observations": 11228,
"number_observations_unique": 3825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 9.940
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.935
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.320,3.170],
"number_observations": 10529,
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.924
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations": 7981,
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 15.270
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 2.735
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.720,3.500],
"number_observations": 6511,
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 17.620
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 2.553
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.970,3.720],
"number_observations": 6280,
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 20.870
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 2.605
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.290,3.970],
"number_observations": 8101,
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 27.020
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.906
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.700,4.290],
"number_observations": 7694,
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 30.510
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.921
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.250,4.700],
"number_observations": 6894,
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.926
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.070,5.250],
"number_observations": 6018,
"number_observations_unique": 2052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 30.490
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.933
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.430,6.070],
"number_observations": 5114,
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 33.170
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.924
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.510,7.430],
"number_observations": 3857,
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 37.760
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.889
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [35.370,10.510],
"number_observations": 1616,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 37.210
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 2.645
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}