Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78006f3cb0d4438321db9ec682268a7e",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 294.203,
"b": 294.203,
"c": 294.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.63,7.7],
"number_observations_unique": 5107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.632
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 8.97
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 26.7
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
"refln_shells": [
{
"resolution_limits": [7.980,7.7],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.70
},
{
"type": "R(meas)",
"value": 3.77
},
{
"type": "R(pim)",
"value": 0.74
},
{
"type": "I/SigI",
"value": 0.56
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 25.5
},
{
"type": "CC(1/2)",
"value": 0.41
}
]
},
{
"resolution_limits": [39.380,15.660],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}