Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8663267885e193d3642a3b04780f9cb3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.922,
"b": 82.063,
"c": 93.623,
"alpha": 90.0,
"beta": 108.3,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.21,1.59],
"number_observations": 594711,
"number_observations_unique": 85857,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.49
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [42.21,4.73],
"number_observations": 22990,
"number_observations_unique": 3336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 43.09
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.21,3.36],
"number_observations": 41613,
"number_observations_unique": 5903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 41.14
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.21,2.74],
"number_observations": 52895,
"number_observations_unique": 7589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 29.92
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.21,2.38],
"number_observations": 63834,
"number_observations_unique": 9000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.95
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.21,2.13],
"number_observations": 72018,
"number_observations_unique": 10187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 12.90
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [42.21,1.94],
"number_observations": 75853,
"number_observations_unique": 11142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 7.04
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [42.21,1.80],
"number_observations": 83819,
"number_observations_unique": 12210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 3.30
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [42.21,1.68],
"number_observations": 89932,
"number_observations_unique": 13016,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.247
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [42.21,1.59],
"number_observations": 91757,
"number_observations_unique": 13474,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.435
},
{
"type": "R(meas)",
"value": 2.634
},
{
"type": "I/SigI",
"value": 0.69
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
}
]
}