Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "005d4bfa38a38cc5d97c849e19aaefd3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.321,
"b": 81.767,
"c": 93.924,
"alpha": 90.00,
"beta": 108.86,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.62,1.46],
"number_observations": 756697,
"number_observations_unique": 110976,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.65
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.62,4.35],
"number_observations": 29351,
"number_observations_unique": 4279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 45.17
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.62,3.08],
"number_observations": 51093,
"number_observations_unique": 7642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 39.82
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.62,2.52],
"number_observations": 66677,
"number_observations_unique": 9802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 27.31
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.62,2.18],
"number_observations": 81216,
"number_observations_unique": 11610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 19.02
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.62,1.95],
"number_observations": 88167,
"number_observations_unique": 13075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 11.22
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [44.62,1.78],
"number_observations": 99074,
"number_observations_unique": 14493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 5.61
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [44.62,1.65],
"number_observations": 108162,
"number_observations_unique": 15743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 2.74
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [44.62,1.54],
"number_observations": 116687,
"number_observations_unique": 16880,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "R(meas)",
"value": 1.26
},
{
"type": "I/SigI",
"value": 1.42
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [44.62,1.46],
"number_observations": 116270,
"number_observations_unique": 17452,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.235
},
{
"type": "R(meas)",
"value": 2.425
},
{
"type": "I/SigI",
"value": 0.67
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 6.66
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
}
]
}