Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0920c9c59a28daa29e265389dfd2b87c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 119.494,
"b": 62.218,
"c": 51.885,
"alpha": 90.00,
"beta": 91.61,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.760,2.050],
"number_observations_unique": 23120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 96.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 78.80
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 91.00
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 2297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 96.30
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.58,2.43],
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.78,2.58],
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.06,2.78],
"number_observations_unique": 2408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.50,3.06],
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.41,3.50],
"number_observations_unique": 2401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [40.00,4.41],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.40
}
]
}
]
}