Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39b6634e92960f0268140594e2a5ed88",
"space_group_name": "P 64",
"unit_cell": {
"a": 113.845,
"b": 113.845,
"c": 46.013,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.92,2.87],
"number_observations_unique": 7986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.920,2.870],
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 91.8
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.45
}
]
},
{
"resolution_limits": [56.93,7.77],
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 60.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
}
]
}