Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "149810021823c8951023818ddbef278d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.84,
"b": 87.50,
"c": 84.23,
"alpha": 90.00,
"beta": 116.08,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.590,1.980],
"number_observations_unique": 64386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 14.120
},
{
"type": "Completeness",
"value": 95.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.04,1.98],
"number_observations": 18662,
"number_observations_unique": 5234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 91.50
}
]
},
{
"resolution_limits": [2.10,2.04],
"number_observations": 18919,
"number_observations_unique": 4856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 95.20
}
]
},
{
"resolution_limits": [2.18,2.10],
"number_observations": 22074,
"number_observations_unique": 5653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 95.20
}
]
},
{
"resolution_limits": [2.27,2.18],
"number_observations": 21301,
"number_observations_unique": 5458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 95.60
}
]
},
{
"resolution_limits": [2.37,2.27],
"number_observations": 20184,
"number_observations_unique": 5167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 95.60
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations": 20102,
"number_observations_unique": 5152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 95.70
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations": 21522,
"number_observations_unique": 5517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 96.20
}
]
},
{
"resolution_limits": [2.86,2.65],
"number_observations": 21592,
"number_observations_unique": 5552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 96.70
}
]
},
{
"resolution_limits": [3.14,2.86],
"number_observations": 20325,
"number_observations_unique": 5250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [3.60,3.14],
"number_observations": 21020,
"number_observations_unique": 5486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 96.90
}
]
},
{
"resolution_limits": [4.53,3.60],
"number_observations": 20632,
"number_observations_unique": 5466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 29.4
},
{
"type": "Completeness",
"value": 97.20
}
]
}
]
}