Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9786603a7ef01fc19c989e443e62832f",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 121.481,
"b": 121.481,
"c": 102.063,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.971,2.800],
"number_observations_unique": 19323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 25.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 73306,
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.458
},
{
"type": "R(meas)",
"value": 2.506
},
{
"type": "R(pim)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 26.500
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [19.860,8.860],
"number_observations": 13065,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}