Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e54ae38cc2b3925aaed5c853de8f15bd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.597,
"b": 126.606,
"c": 126.655,
"alpha": 90.00,
"beta": 95.46,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,2.130],
"number_observations_unique": 171606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.130],
"number_observations_unique": 7694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [47.280,11.670],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
}
]
}