Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "795f4e09e8ae5568a4d0f38d430a0a65",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 55.314,
"b": 81.301,
"c": 88.578,
"alpha": 90.00,
"beta": 96.46,
"gamma": 90.00
},
"wavelengths": [1.54000,2.00000,4.16000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.72,2.20],
"number_observations_unique": 19108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.2],
"number_observations_unique": 1884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 88.4
},
{
"type": "Redundancy",
"value": 5.6
}
]
}
]
}