Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a6b0f15796b3668a8350757654dc07b",
"space_group_name": "P 63",
"unit_cell": {
"a": 124.94,
"b": 124.94,
"c": 92.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.000,3.700],
"number_observations": 181357,
"number_observations_unique": 8827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 11.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.546
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.800,3.700],
"number_observations": 13338,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.785
},
{
"type": "R(meas)",
"value": 6.958
},
{
"type": "I/SigI",
"value": 0.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.301
},
{
"type": "CC(1/2)",
"value": 0.401
}
]
},
{
"resolution_limits": [3.900,3.800],
"number_observations": 12740,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.227
},
{
"type": "R(meas)",
"value": 4.337
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.158
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [4.010,3.900],
"number_observations": 12565,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.223
},
{
"type": "R(meas)",
"value": 2.278
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.047
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [4.140,4.010],
"number_observations": 12638,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.719
},
{
"type": "R(meas)",
"value": 1.761
},
{
"type": "I/SigI",
"value": 2.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.889
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [4.270,4.140],
"number_observations": 11864,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.268
},
{
"type": "R(meas)",
"value": 1.300
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.455
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [4.420,4.270],
"number_observations": 12013,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 4.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.300
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.590,4.420],
"number_observations": 11426,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.081
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.780,4.590],
"number_observations": 10057,
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.114
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.990,4.780],
"number_observations": 10839,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 9.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.844
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.230,4.990],
"number_observations": 9612,
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 8.970
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.364
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.520,5.230],
"number_observations": 9565,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 9.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.976
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.850,5.520],
"number_observations": 9037,
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 11.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.114
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.260,5.850],
"number_observations": 8219,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 12.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.949
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.760,6.260],
"number_observations": 8113,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 18.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.018
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.400,6.760],
"number_observations": 7010,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.260
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.280,7.400],
"number_observations": 6568,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 37.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.917
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.560,8.280],
"number_observations": 5648,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 44.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.818
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.700,9.560],
"number_observations": 4628,
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 46.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.527
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [16.550,11.700],
"number_observations": 3700,
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 47.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.474
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [22.000,16.550],
"number_observations": 1777,
"number_observations_unique": 104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 47.110
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 17.087
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}