Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b57864b87c66f2d57e8972de2e917211",
"space_group_name": "P 1",
"unit_cell": {
"a": 35.250,
"b": 50.853,
"c": 108.965,
"alpha": 99.19,
"beta": 98.86,
"gamma": 94.66
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.540,1.900],
"number_observations": 205972,
"number_observations_unique": 56540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 9.440
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.643
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.900],
"number_observations": 31105,
"number_observations_unique": 8901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.872
},
{
"type": "I/SigI",
"value": 1.570
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.495
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 32478,
"number_observations_unique": 8564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 2.620
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.792
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 30105,
"number_observations_unique": 8044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.743
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [2.540,2.320],
"number_observations": 27003,
"number_observations_unique": 7392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 5.350
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.653
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.840,2.540],
"number_observations": 23257,
"number_observations_unique": 6671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.486
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.280,2.840],
"number_observations": 21982,
"number_observations_unique": 5905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.610
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.723
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.010,3.280],
"number_observations": 18721,
"number_observations_unique": 5041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 22.450
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.714
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.660,4.010],
"number_observations": 13444,
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.880
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.477
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.540,5.660],
"number_observations": 7877,
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 31.630
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.655
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}