Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "195d9b65c5d04aa3ae2dc08d1a100485",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.658,
"b": 88.658,
"c": 39.538,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.330,1.000],
"number_observations": 1039290,
"number_observations_unique": 165166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.292
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 146040,
"number_observations_unique": 26266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.857
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.560
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158065,
"number_observations_unique": 25049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.310
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 154108,
"number_observations_unique": 23361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.597
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 136712,
"number_observations_unique": 21482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 8.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.364
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131578,
"number_observations_unique": 19491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 14.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.751
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 110765,
"number_observations_unique": 17204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 24.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.438
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 93169,
"number_observations_unique": 14584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 36.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.388
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 68658,
"number_observations_unique": 11321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 45.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.065
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.330,3.000],
"number_observations": 40195,
"number_observations_unique": 6408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 51.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.273
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}