Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acb22847c43056af7b659fe26b71ce52",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 105.808,
"b": 83.248,
"c": 119.842,
"alpha": 90.00,
"beta": 93.04,
"gamma": 90.00
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.660,3.330],
"number_observations_unique": 34390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.330],
"number_observations": 14428,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.544
},
{
"type": "R(meas)",
"value": 1.682
},
{
"type": "R(pim)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [105.660,14.890],
"number_observations": 2417,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}