Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89c4cf91dee18ee2b5231562bdf4bea7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.453,
"b": 45.436,
"c": 294.498,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97916,0.97886],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.083,2.09],
"number_observations_unique": 36206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 16.610
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.09],
"number_observations": 13473,
"number_observations_unique": 3377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.99
}
]
},
{
"resolution_limits": [2.25,2.16],
"number_observations": 15142,
"number_observations_unique": 3745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.35,2.25],
"number_observations": 14256,
"number_observations_unique": 3535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.48,2.35],
"number_observations": 15151,
"number_observations_unique": 3738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.63,2.48],
"number_observations": 14171,
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.83,2.63],
"number_observations": 14482,
"number_observations_unique": 3564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [3.12,2.83],
"number_observations": 14913,
"number_observations_unique": 3679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [3.57,3.12],
"number_observations": 14518,
"number_observations_unique": 3619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 28.6
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [4.49,3.57],
"number_observations": 14512,
"number_observations_unique": 3666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 39.2
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [49.08,4.49],
"number_observations": 14343,
"number_observations_unique": 3788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 45.0
},
{
"type": "Completeness",
"value": 94.50
}
]
}
]
}