Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a68da0ac47cbfda726085a26bcc2b5ac",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 216.927,
"b": 118.688,
"c": 148.915,
"alpha": 90.00,
"beta": 127.44,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [169.031,1.034],
"number_observations_unique": 54172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.27,3.10],
"number_observations": 25391,
"number_observations_unique": 7887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [3.47,3.27],
"number_observations": 24067,
"number_observations_unique": 7482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [3.71,3.47],
"number_observations": 22573,
"number_observations_unique": 7020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.00,3.71],
"number_observations": 20983,
"number_observations_unique": 6542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.38,4.00],
"number_observations": 19300,
"number_observations_unique": 6037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.90,4.38],
"number_observations": 17384,
"number_observations_unique": 5457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [5.66,4.90],
"number_observations": 15196,
"number_observations_unique": 4838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [6.93,5.66],
"number_observations": 12531,
"number_observations_unique": 4053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [9.80,6.93],
"number_observations": 9201,
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [117.85,9.80],
"number_observations": 5134,
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 3.00
}
]
}
]
}