Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fa4b996b5f5e404e4687bb072c264e9",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 177.62,
"b": 177.62,
"c": 177.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.200,2.200],
"number_observations": 808727,
"number_observations_unique": 92609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 8.733
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 25774,
"number_observations_unique": 5982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 4.309
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 31149,
"number_observations_unique": 6249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.985
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 36588,
"number_observations_unique": 6347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 2.980
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.765
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 43577,
"number_observations_unique": 6363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 3.750
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.848
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 54356,
"number_observations_unique": 6170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 5.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.810
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 60912,
"number_observations_unique": 5992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.166
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 58697,
"number_observations_unique": 5773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 8.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.168
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 56572,
"number_observations_unique": 5557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 10.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.180
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 54730,
"number_observations_unique": 5384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 14.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.165
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 51648,
"number_observations_unique": 5083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 17.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.161
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 49711,
"number_observations_unique": 4899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 21.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.147
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 46592,
"number_observations_unique": 4612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 25.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.102
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 43733,
"number_observations_unique": 4351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.051
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 40341,
"number_observations_unique": 4036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 33.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.995
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 37206,
"number_observations_unique": 3737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 37.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.956
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 33725,
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.899
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 29663,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 39.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.875
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 25018,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 39.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.807
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 19294,
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 40.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.589
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [29.200,9.840],
"number_observations": 9441,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 39.550
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 8.583
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}