Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a8ab49481eccf7ac9fb7df16d432f40b",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.769,
"b": 88.769,
"c": 39.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,0.950],
"number_observations": 1288860,
"number_observations_unique": 191478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 51754,
"number_observations_unique": 8792,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.005
},
{
"type": "R(meas)",
"value": 2.197
},
{
"type": "R(pim)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [44.380,5.200],
"number_observations": 8563,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}