Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19eed54f1ba0cee35f2cbf6f04674db5",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.452,
"b": 80.452,
"c": 139.758,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.950,1.720],
"number_observations": 546265,
"number_observations_unique": 28869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.720],
"number_observations": 30279,
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "R(meas)",
"value": 0.999
},
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [27.950,7.710],
"number_observations": 6843,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 75.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}