Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2dbc5a621a8ae980760dc04b8b61dab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.946,
"b": 51.121,
"c": 31.570,
"alpha": 90.00,
"beta": 116.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.340,1.38],
"number_observations_unique": 16325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.82
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.68
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.38],
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 2.00
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.62
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [1.57,1.47],
"quality_factors": [
]
},
{
"resolution_limits": [1.69,1.57],
"quality_factors": [
]
},
{
"resolution_limits": [1.85,1.69],
"quality_factors": [
]
},
{
"resolution_limits": [2.07,1.85],
"quality_factors": [
]
},
{
"resolution_limits": [2.39,2.07],
"quality_factors": [
]
},
{
"resolution_limits": [2.92,2.39],
"quality_factors": [
]
},
{
"resolution_limits": [4.11,2.92],
"quality_factors": [
]
},
{
"resolution_limits": [28.34,4.11],
"quality_factors": [
]
}
]
}