Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07c22e22e382f1193b6a29cf91b2c79a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 70.677,
"b": 111.645,
"c": 55.336,
"alpha": 90.00,
"beta": 122.75,
"gamma": 90.00
},
"wavelengths": [1.11582,2.25418],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.750,1.350],
"number_observations": 512201,
"number_observations_unique": 77765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 8093,
"number_observations_unique": 2643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 67.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
}
]
}