Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d858ff102a5ea7d4c479a0b9dfb604a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 82.846,
"b": 85.335,
"c": 113.682,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25,2.15],
"number_observations_unique": 34341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.66
},
{
"type": "Completeness",
"value": 75.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.19,2.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "I/SigI",
"value": 0.79
},
{
"type": "Completeness",
"value": 7.0
},
{
"type": "Redundancy",
"value": 1.3
}
]
},
{
"resolution_limits": [2.23,2.19],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.12
},
{
"type": "Completeness",
"value": 14.3
},
{
"type": "Redundancy",
"value": 1.4
}
]
},
{
"resolution_limits": [2.62,2.55],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 3.04
},
{
"type": "Completeness",
"value": 91.7
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [4.63,4.05],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [50.,5.83],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.9
}
]
}
]
}