Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8cf1ab62c0ca404abaefbf98634d59f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 70.212,
"b": 70.212,
"c": 99.915,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 19802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 43.438
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 1963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
}
]
}