Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1ada4f053755509299ccb4af5741004",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 77.69,
"b": 83.93,
"c": 87.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.801,2.200],
"number_observations_unique": 29750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.890
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 2.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.957
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 3.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.979
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 4.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.981
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.977
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.965
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations_unique": 1887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 6.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.968
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations_unique": 1812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.952
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 9.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.944
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.934
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.920
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 17.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.901
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 20.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.892
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 24.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.850
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 26.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.816
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations_unique": 1185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 28.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.797
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 29.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.757
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.722
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 28.860
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.682
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 30.260
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.492
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [47.801,9.840],
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.170
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.992
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}