Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3a1b4c1471978a1f92abc3be82d0822",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.591,
"b": 135.591,
"c": 235.017,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.610,2.350],
"number_observations": 254360,
"number_observations_unique": 66988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 10.170
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.797
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 16352,
"number_observations_unique": 4988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.278
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations": 16498,
"number_observations_unique": 4814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.427
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations": 16325,
"number_observations_unique": 4666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.499
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations": 16249,
"number_observations_unique": 4572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.554
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.710,2.630],
"number_observations": 16047,
"number_observations_unique": 4440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.614
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations": 15695,
"number_observations_unique": 4227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.713
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [2.910,2.810],
"number_observations": 16040,
"number_observations_unique": 4202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 4.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.817
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [3.030,2.910],
"number_observations": 15203,
"number_observations_unique": 3919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 6.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.879
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [3.170,3.030],
"number_observations": 15140,
"number_observations_unique": 3800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 7.980
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.984
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.320,3.170],
"number_observations": 14805,
"number_observations_unique": 3655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.051
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations": 13956,
"number_observations_unique": 3460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 13.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.034
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.720,3.500],
"number_observations": 13234,
"number_observations_unique": 3287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.026
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.970,3.720],
"number_observations": 12447,
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 19.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.028
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.290,3.970],
"number_observations": 11568,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 21.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.070
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.700,4.290],
"number_observations": 10666,
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 23.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.066
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.250,4.700],
"number_observations": 9707,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.058
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.070,5.250],
"number_observations": 8631,
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.110
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.430,6.070],
"number_observations": 7313,
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 25.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.083
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [10.510,7.430],
"number_observations": 5572,
"number_observations_unique": 1381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 29.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.035
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [43.610,10.510],
"number_observations": 2912,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.940
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}