Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2292d83a6203e48cc41574860d5cd8c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.15,
"b": 103.56,
"c": 48.13,
"alpha": 90.00,
"beta": 113.64,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.095,2.3],
"number_observations_unique": 15694,
"quality_factors": [
{
"type": "I/SigI",
"value": 27.64
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 13.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.40,2.30],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 42.0
},
{
"type": "I/SigI",
"value": 5.42
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 14.2
}
]
},
{
"resolution_limits": [2.50,2.40],
"number_observations_unique": 1629,
"quality_factors": [
{
"type": "R(merge)",
"value": 26.2
},
{
"type": "I/SigI",
"value": 8.22
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 14.1
}
]
},
{
"resolution_limits": [2.80,2.50],
"number_observations_unique": 3662,
"quality_factors": [
{
"type": "R(merge)",
"value": 15.6
},
{
"type": "I/SigI",
"value": 13.31
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 13.6
}
]
},
{
"resolution_limits": [3.00,2.80],
"number_observations_unique": 1700,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.3
},
{
"type": "I/SigI",
"value": 22.03
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.3
}
]
},
{
"resolution_limits": [4.00,3.00],
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.5
},
{
"type": "I/SigI",
"value": 36.85
},
{
"type": "Completeness",
"value": 83.6
},
{
"type": "Redundancy",
"value": 12.9
}
]
},
{
"resolution_limits": [20.00,4.00],
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.6
},
{
"type": "I/SigI",
"value": 57.88
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 13.0
}
]
}
]
}