Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83f6572f6f6550232e941c1e625db58d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.12,
"b": 95.90,
"c": 172.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.890,1.450],
"number_observations": 1102473,
"number_observations_unique": 134019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 72300,
"number_observations_unique": 9551,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.592
},
{
"type": "R(pim)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [41.890,6.480],
"number_observations": 12865,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}