{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d66cbcae42ce5d80c782dc1e19df269",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.733,
"b": 88.733,
"c": 39.476,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.680,1.000],
"number_observations": 1037280,
"number_observations_unique": 163486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.790
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.345
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 144732,
"number_observations_unique": 24788,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(meas)",
"value": 1.473
},
{
"type": "I/SigI",
"value": 0.790
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 5.839
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 157918,
"number_observations_unique": 25014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.313
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 153953,
"number_observations_unique": 23325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 137196,
"number_observations_unique": 21471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.390
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131396,
"number_observations_unique": 19442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 9.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.758
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 110101,
"number_observations_unique": 17191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 15.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.405
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 93271,
"number_observations_unique": 14575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.399
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 68538,
"number_observations_unique": 11294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 28.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.069
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [39.680,3.000],
"number_observations": 40175,
"number_observations_unique": 6386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.291
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|