Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0a8ca871fa01e0d1c41d181118238ad",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.821,
"b": 54.872,
"c": 56.665,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.670,1.030],
"number_observations": 379540,
"number_observations_unique": 63589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.050,1.030],
"number_observations": 9352,
"number_observations_unique": 2525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [56.670,5.550],
"number_observations": 3052,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}