Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ba1863dbf052e993be5901e9e35f60f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.887,
"b": 60.985,
"c": 81.035,
"alpha": 90.00,
"beta": 94.98,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.730,1.950],
"number_observations": 239457,
"number_observations_unique": 35827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [44.73,6.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}