{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2450c13f7bd321e15a79e29b327f7c50",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 94.784,
"b": 94.784,
"c": 178.164,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.553,1.910],
"number_observations": 147262,
"number_observations_unique": 23203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.910],
"number_observations": 20016,
"number_observations_unique": 3158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.916
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.140,2.010],
"number_observations": 20519,
"number_observations_unique": 3148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.280,2.140],
"number_observations": 19457,
"number_observations_unique": 2996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.470,2.280],
"number_observations": 18093,
"number_observations_unique": 2796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.700,2.470],
"number_observations": 16811,
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 14974,
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 13179,
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 11014,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 8259,
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [74.536,6.040],
"number_observations": 4940,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}
|