Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0aa8164b8f3e86163fcacf6fb82add8c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.618,
"b": 86.295,
"c": 62.691,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200,1.07000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.10],
"number_observations_unique": 141169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 29.5
},
{
"type": "Completeness",
"value": 90.8
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.14,1.10],
"number_observations_unique": 8530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 4.52
},
{
"type": "Completeness",
"value": 55.5
},
{
"type": "Redundancy",
"value": 8.8
}
]
},
{
"resolution_limits": [1.18,1.14],
"number_observations_unique": 11632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 6.68
},
{
"type": "Completeness",
"value": 75.7
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
{
"resolution_limits": [1.24,1.18],
"number_observations_unique": 14684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 9.88
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 12.1
}
]
}
]
}