Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7b21e495f10f596e027279ba0bd4f18",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 115.48,
"b": 141.69,
"c": 59.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.388,2.500],
"number_observations_unique": 33921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 18188,
"number_observations_unique": 4919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 1.10
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 17384,
"number_observations_unique": 4701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.70
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 16239,
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.70
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 15193,
"number_observations_unique": 4122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.20
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 13972,
"number_observations_unique": 3794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.10
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.950,3.540],
"number_observations": 12659,
"number_observations_unique": 3444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.40
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [4.560,3.950],
"number_observations": 11049,
"number_observations_unique": 3002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.70
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [5.590,4.560],
"number_observations": 9206,
"number_observations_unique": 2502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.80
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [7.910,5.590],
"number_observations": 7111,
"number_observations_unique": 1950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.60
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [60.388,7.910],
"number_observations": 3862,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.10
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 3.6
}
]
}
]
}