Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76b6119e6f44520ffe3a0660f84f90fa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.285,
"b": 57.612,
"c": 115.567,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.890,1.380],
"number_observations": 458361,
"number_observations_unique": 72274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 26645,
"number_observations_unique": 5169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [28.890,6.180],
"number_observations": 5541,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}