Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bce00971dc956e6ff0999a0ad677e85e",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.965,
"b": 89.701,
"c": 98.345,
"alpha": 113.22,
"beta": 90.09,
"gamma": 89.92
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.755],
"number_observations_unique": 45676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 2311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 2349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 2364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 2115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 2297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 2308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}