Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fc927ac02eee8c3952a9d300ff4b982",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.059,
"b": 45.980,
"c": 47.243,
"alpha": 97.79,
"beta": 115.24,
"gamma": 113.86
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.659,2.000],
"number_observations_unique": 17666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.00],
"number_observations": 5642,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 89.30
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations": 5478,
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 92.60
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.39,2.24],
"number_observations": 5290,
"number_observations_unique": 2303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 93.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations": 4851,
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.83,2.58],
"number_observations": 4580,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.16,2.83],
"number_observations": 4129,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.65,3.16],
"number_observations": 3700,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [4.47,3.65],
"number_observations": 3129,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [6.32,4.47],
"number_observations": 2445,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.4
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [30.47,6.32],
"number_observations": 1339,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 2.30
}
]
}
]
}