Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b02a089a6fa484ee6f725f9f96bdf08",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.70,
"b": 92.58,
"c": 125.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.900,1.800],
"number_observations": 453780,
"number_observations_unique": 84896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 15.990
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.345
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 33783,
"number_observations_unique": 6290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.371
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 32701,
"number_observations_unique": 6067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.390
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 31561,
"number_observations_unique": 5886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 4.630
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.362
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 30934,
"number_observations_unique": 5740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.389
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 29825,
"number_observations_unique": 5539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 7.180
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.385
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 28949,
"number_observations_unique": 5357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.404
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 27895,
"number_observations_unique": 5163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.403
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 26427,
"number_observations_unique": 4965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 12.910
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.323
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 25700,
"number_observations_unique": 4783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 14.910
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.373
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 24433,
"number_observations_unique": 4566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.860
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.351
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 23298,
"number_observations_unique": 4355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.060
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.350
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 22146,
"number_observations_unique": 4139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 21.850
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.351
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 20888,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.310
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.341
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 19613,
"number_observations_unique": 3678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 29.150
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.333
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 17879,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 32.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.301
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 16365,
"number_observations_unique": 3092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 35.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.293
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 14589,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 37.340
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.309
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 12272,
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 37.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.260
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 9490,
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.140
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.141
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [39.900,8.050],
"number_observations": 5032,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 38.470
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.725
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}