Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde83347028274511f7bd53f7bd5a921",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.964,
"b": 98.444,
"c": 64.263,
"alpha": 90.00,
"beta": 102.43,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.9],
"number_observations_unique": 49341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 87
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.9],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [50,4.09],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.39,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.25,2.14],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.14,2.05],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.05,1.97],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Redundancy",
"value": 2.4
}
]
}
]
}