Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f327dae73d7a71b8ca4f92f97ee32156",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 65.671,
"b": 65.671,
"c": 76.783,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.100],
"number_observations_unique": 18616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 93.10
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 1875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 1886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 1853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [40.00,4.52],
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 10.80
}
]
}
]
}