Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19f2f861b0d45a8c15d137e154a48d0a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.933,
"b": 70.170,
"c": 97.051,
"alpha": 90.00,
"beta": 92.42,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 53857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 15.090
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 5208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 5373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 5366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 5324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 5388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 5394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 5426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 5447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 5563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.20
}
]
}
]
}