Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf27d596d50f754e45029ae8c901eaf0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.95,
"b": 103.37,
"c": 79.20,
"alpha": 90.0,
"beta": 96.6,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.680,2.600],
"number_observations": 197392,
"number_observations_unique": 27932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations_unique": 4554,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.018
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [78.680,9.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}