Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1132bc05329553eabb1b70e8d842478d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.203,
"b": 92.065,
"c": 119.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99996],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.03,1.570],
"number_observations": 861080,
"number_observations_unique": 129822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.880
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.633
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 63396,
"number_observations_unique": 9458,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.701
},
{
"type": "R(meas)",
"value": 1.841
},
{
"type": "I/SigI",
"value": 1.050
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.703
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [1.650,1.610],
"number_observations": 58891,
"number_observations_unique": 9209,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.392
},
{
"type": "R(meas)",
"value": 1.514
},
{
"type": "I/SigI",
"value": 1.280
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.395
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations": 59363,
"number_observations_unique": 9005,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.090
},
{
"type": "R(meas)",
"value": 1.182
},
{
"type": "I/SigI",
"value": 1.720
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.592
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations": 60388,
"number_observations_unique": 8730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.917
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [1.810,1.760],
"number_observations": 58124,
"number_observations_unique": 8480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.685
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.854
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.880,1.810],
"number_observations": 55639,
"number_observations_unique": 8244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.749
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.950,1.880],
"number_observations": 51533,
"number_observations_unique": 7942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.489
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.030,1.950],
"number_observations": 48945,
"number_observations_unique": 7640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 6.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.406
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.120,2.030],
"number_observations": 51420,
"number_observations_unique": 7385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.963
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.220,2.120],
"number_observations": 48880,
"number_observations_unique": 7079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 11.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.905
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.340,2.220],
"number_observations": 45609,
"number_observations_unique": 6698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 13.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.809
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.480,2.340],
"number_observations": 41404,
"number_observations_unique": 6393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 15.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.476
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.650,2.480],
"number_observations": 38954,
"number_observations_unique": 5985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 17.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.870,2.650],
"number_observations": 38789,
"number_observations_unique": 5601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.925
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.140,2.870],
"number_observations": 34744,
"number_observations_unique": 5169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 26.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.722
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.510,3.140],
"number_observations": 29558,
"number_observations_unique": 4679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.317
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.050,3.510],
"number_observations": 25420,
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.880
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.112
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.960,4.050],
"number_observations": 23202,
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.532
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.020,4.960],
"number_observations": 16807,
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 38.490
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.022
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.030,7.020],
"number_observations": 10014,
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 44.860
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.170
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}