Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c22e203a843e84a10985efa528cc83b0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.490,
"b": 81.945,
"c": 93.723,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.53,1.44],
"number_observations": 795029,
"number_observations_unique": 112389,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.19
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 7.07
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.53,4.30],
"number_observations": 30390,
"number_observations_unique": 4396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 58.20
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.53,3.05],
"number_observations": 55025,
"number_observations_unique": 7832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 52.33
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.03
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.53,2.49],
"number_observations": 71470,
"number_observations_unique": 10069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 35.58
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.53,2.16],
"number_observations": 84746,
"number_observations_unique": 11809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.85
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.53,1.93],
"number_observations": 92619,
"number_observations_unique": 13351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 12.09
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [44.53,1.76],
"number_observations": 102968,
"number_observations_unique": 14634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 5.26
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [44.53,1.63],
"number_observations": 112326,
"number_observations_unique": 15787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.62
},
{
"type": "I/SigI",
"value": 2.36
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 7.12
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [44.53,1.53],
"number_observations": 121502,
"number_observations_unique": 16920,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.151
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "I/SigI",
"value": 1.05
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [44.53,1.44],
"number_observations": 123983,
"number_observations_unique": 17591,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.238
},
{
"type": "R(meas)",
"value": 2.412
},
{
"type": "I/SigI",
"value": 0.42
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
}
]
}