Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b11a37cd6643be0b3e7cf85ff6f18441",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.456,
"b": 81.194,
"c": 69.193,
"alpha": 90.00,
"beta": 123.95,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.894],
"number_observations_unique": 7503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 85.7
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
"refln_shells": [
{
"resolution_limits": [3.0,2.894],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 82.8
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [3.12,3.0],
"quality_factors": [
{
"type": "Completeness",
"value": 86.4
}
]
},
{
"resolution_limits": [3.27,3.12],
"quality_factors": [
{
"type": "Completeness",
"value": 86.3
}
]
},
{
"resolution_limits": [3.44,3.27],
"quality_factors": [
{
"type": "Completeness",
"value": 87.5
}
]
},
{
"resolution_limits": [3.65,3.44],
"quality_factors": [
{
"type": "Completeness",
"value": 88.9
}
]
},
{
"resolution_limits": [3.94,3.65],
"quality_factors": [
{
"type": "Completeness",
"value": 86.7
}
]
},
{
"resolution_limits": [4.33,3.94],
"quality_factors": [
{
"type": "Completeness",
"value": 86.3
}
]
},
{
"resolution_limits": [4.96,4.33],
"quality_factors": [
{
"type": "Completeness",
"value": 85.7
}
]
},
{
"resolution_limits": [6.24,4.96],
"quality_factors": [
{
"type": "Completeness",
"value": 84.7
}
]
},
{
"resolution_limits": [50,6.24],
"quality_factors": [
{
"type": "Completeness",
"value": 81.4
}
]
}
]
}