Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fffe0410b4e8841fa713598af7cbc3d",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 45.463,
"b": 45.463,
"c": 315.454,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 13543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.43
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Redundancy",
"value": 16.90
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Redundancy",
"value": 17.80
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 1420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Redundancy",
"value": 17.70
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Redundancy",
"value": 17.30
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Redundancy",
"value": 16.20
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Redundancy",
"value": 14.30
}
]
}
]
}