Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fb9607106e0ca400954ebb737dfb1df",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.212,
"b": 135.212,
"c": 235.801,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99991],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.75,2.320],
"number_observations": 303573,
"number_observations_unique": 69507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.368
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 22925,
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.136
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.451
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 22194,
"number_observations_unique": 5000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.925
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.439
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 21239,
"number_observations_unique": 4923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.314
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations": 19686,
"number_observations_unique": 4706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 2.510
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.183
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [2.680,2.590],
"number_observations": 19552,
"number_observations_unique": 4590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 3.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.260
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 20175,
"number_observations_unique": 4455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 4.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.529
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 19222,
"number_observations_unique": 4267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 5.350
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.505
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.000,2.880],
"number_observations": 18309,
"number_observations_unique": 4122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 6.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.442
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.130,3.000],
"number_observations": 16848,
"number_observations_unique": 3967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 8.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.247
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.280,3.130],
"number_observations": 15831,
"number_observations_unique": 3743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 11.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.229
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.460,3.280],
"number_observations": 16259,
"number_observations_unique": 3640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 16.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.467
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.670,3.460],
"number_observations": 15032,
"number_observations_unique": 3382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 22.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.445
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.920,3.670],
"number_observations": 13824,
"number_observations_unique": 3172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.358
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.240,3.920],
"number_observations": 12484,
"number_observations_unique": 2984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.184
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.640,4.240],
"number_observations": 12037,
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 39.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.401
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.190,4.640],
"number_observations": 11074,
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 43.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.507
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.990,5.190],
"number_observations": 9216,
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.235
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.340,5.990],
"number_observations": 8090,
"number_observations_unique": 1856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 44.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.359
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.380,7.340],
"number_observations": 6279,
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 60.150
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.431
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.750,10.380],
"number_observations": 3297,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 66.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.310
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}