Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dfbde7ec25b376ad181cdc56d1bc8c2",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.599,
"b": 71.599,
"c": 150.952,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.720],
"number_observations": 551359,
"number_observations_unique": 42512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 25951,
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.845
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [29.480,9.100],
"number_observations": 3879,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 49.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}