Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a3fe8552fed7cdef6149ac72171453a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 91.294,
"b": 91.294,
"c": 207.527,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.58,2.80],
"number_observations_unique": 10044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 19.2
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.99,2.80],
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.663
},
{
"type": "R(meas)",
"value": 2.739
},
{
"type": "R(pim)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 88.6
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [44.58,8.89],
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 16.1
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}