Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1fba9bb858073b038fa5c990d669fcb",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 143.89,
"b": 143.89,
"c": 195.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.50000,1.00800,1.54100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.500],
"number_observations_unique": 71081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
"refln_shells": [
{
"resolution_limits": [3.00,2.50],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.40,3.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.50,3.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.80,3.50],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.00,3.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [5.00,4.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [10.00,5.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [15.00,10.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 24.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [20.00,15.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 99.70
}
]
}
]
}