Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c31a64d1f9ba2c6b191009e88984341",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.243,
"b": 121.866,
"c": 66.621,
"alpha": 90.00,
"beta": 121.36,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97939,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.741,1.98],
"number_observations_unique": 47810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 15.730
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,1.98],
"number_observations": 17620,
"number_observations_unique": 4684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.13,2.05],
"number_observations": 17691,
"number_observations_unique": 4694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.23,2.13],
"number_observations": 18544,
"number_observations_unique": 4909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.35,2.23],
"number_observations": 18394,
"number_observations_unique": 4858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.49,2.35],
"number_observations": 17274,
"number_observations_unique": 4566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.69,2.49],
"number_observations": 18763,
"number_observations_unique": 4941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.96,2.69],
"number_observations": 18070,
"number_observations_unique": 4770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.38,2.96],
"number_observations": 17733,
"number_observations_unique": 4697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.6
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [4.25,3.38],
"number_observations": 18109,
"number_observations_unique": 4791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 35.2
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [48.741,4.25],
"number_observations": 18090,
"number_observations_unique": 4875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 41.2
},
{
"type": "Completeness",
"value": 98.40
}
]
}
]
}