Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d7b507f220f9525be7a71a056dd8631",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.205,
"b": 59.373,
"c": 61.333,
"alpha": 90.00,
"beta": 103.27,
"gamma": 90.00
},
"wavelengths": [0.97860,0.91837,0.97985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.523,1.79],
"number_observations_unique": 31085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 9.590
},
{
"type": "Completeness",
"value": 97.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.78],
"number_observations": 9426,
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 86.20
}
]
},
{
"resolution_limits": [1.92,1.84],
"number_observations": 12802,
"number_observations_unique": 3378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 97.10
}
]
},
{
"resolution_limits": [2.00,1.92],
"number_observations": 10804,
"number_observations_unique": 2853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.11,2.00],
"number_observations": 12341,
"number_observations_unique": 3255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 97.90
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations": 11745,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [2.41,2.24],
"number_observations": 11574,
"number_observations_unique": 3069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [2.66,2.41],
"number_observations": 12488,
"number_observations_unique": 3300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [3.04,2.66],
"number_observations": 11682,
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [3.83,3.04],
"number_observations": 11982,
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 19.6
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [41.523,3.83],
"number_observations": 11969,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 98.40
}
]
}
]
}