Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "444f7781dc594b69de8df9067d8b8207",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.252,
"b": 81.975,
"c": 93.680,
"alpha": 90.0,
"beta": 108.7,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.48,1.55],
"number_observations": 634630,
"number_observations_unique": 91772,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.47
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [44.48,4.62],
"number_observations": 24339,
"number_observations_unique": 3530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 74.45
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.48,3.27],
"number_observations": 44143,
"number_observations_unique": 6321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 66.72
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [44.48,2.68],
"number_observations": 55766,
"number_observations_unique": 8097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.10
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.48,2.32],
"number_observations": 67612,
"number_observations_unique": 9554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 23.78
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.08
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.48,2.07],
"number_observations": 75638,
"number_observations_unique": 10842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 12.80
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.48,1.89],
"number_observations": 82029,
"number_observations_unique": 11963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.27
},
{
"type": "I/SigI",
"value": 5.99
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [44.48,1.75],
"number_observations": 89664,
"number_observations_unique": 13022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 2.51
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [44.48,1.64],
"number_observations": 96079,
"number_observations_unique": 13903,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.26
},
{
"type": "R(meas)",
"value": 1.364
},
{
"type": "I/SigI",
"value": 1.14
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [44.48,1.55],
"number_observations": 99360,
"number_observations_unique": 14540,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.394
},
{
"type": "R(meas)",
"value": 2.592
},
{
"type": "I/SigI",
"value": 0.54
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
}
]
}