Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af9bf3bf37e3edeb9171f4109cbe39fd",
"space_group_name": "P 1",
"unit_cell": {
"a": 33.331,
"b": 36.586,
"c": 47.970,
"alpha": 77.56,
"beta": 89.08,
"gamma": 86.18
},
"wavelengths": [0.97926,1.28288],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 14319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 92.50
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 1378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
}
]
}