Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abe50b658ce38d11948b6a0eda943ff9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.699,
"b": 81.822,
"c": 93.552,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.73,1.54],
"number_observations": 649101,
"number_observations_unique": 90703,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.27
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 7.16
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [43.73,4.58],
"number_observations": 25021,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 45.78
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.73,3.25],
"number_observations": 45157,
"number_observations_unique": 6397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 43.41
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.73,2.66],
"number_observations": 57636,
"number_observations_unique": 8174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.44
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.73,2.30],
"number_observations": 69393,
"number_observations_unique": 9584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 22.11
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 7.24
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [43.73,2.06],
"number_observations": 77248,
"number_observations_unique": 10803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 13.44
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 7.15
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [43.73,1.88],
"number_observations": 84126,
"number_observations_unique": 11829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 6.57
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [43.73,1.74],
"number_observations": 91647,
"number_observations_unique": 12765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 2.80
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [43.73,1.63],
"number_observations": 98915,
"number_observations_unique": 13633,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.369
},
{
"type": "R(meas)",
"value": 1.474
},
{
"type": "I/SigI",
"value": 1.28
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 7.26
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [43.73,1.54],
"number_observations": 99958,
"number_observations_unique": 13910,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.806
},
{
"type": "R(meas)",
"value": 3.024
},
{
"type": "I/SigI",
"value": 0.57
},
{
"type": "Completeness",
"value": 91.4
},
{
"type": "Redundancy",
"value": 7.19
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
}
]
}