Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90e346aa397e0c7541156cb3ca7ea330",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.643,
"b": 26.989,
"c": 55.818,
"alpha": 90.00,
"beta": 99.92,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.990,1.190],
"number_observations": 81989,
"number_observations_unique": 34124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 791,
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "R(meas)",
"value": 1.356
},
{
"type": "R(pim)",
"value": 0.959
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 40.000
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [54.990,6.520],
"number_observations": 783,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}