Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be36ed174719feac91d9f44b23cea839",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 9.666,
"b": 28.003,
"c": 17.346,
"alpha": 90.00,
"beta": 96.24,
"gamma": 90.00
},
"wavelengths": [0.94660],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.800],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.80],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "Completeness",
"value": 83.50
},
{
"type": "Redundancy",
"value": 1.90
}
]
},
{
"resolution_limits": [2.13,1.94],
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "Completeness",
"value": 89.30
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.44,2.13],
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 90.10
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [3.08,2.44],
"number_observations_unique": 159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [90.00,3.08],
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 2.30
}
]
}
]
}