Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb800fdb38c0d2f3c89ef8d6aecc3510",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 145.332,
"b": 47.096,
"c": 63.383,
"alpha": 90.0,
"beta": 94.9,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.770,3.000],
"number_observations": 47341,
"number_observations_unique": 8747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 7908,
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.983
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [19.770,9.000],
"number_observations": 1518,
"number_observations_unique": 318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}