Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "592423d2df5e938c104554c4b25208bc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.615,
"b": 56.575,
"c": 101.730,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.0860,1.580],
"number_observations": 295488,
"number_observations_unique": 44837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 20606,
"number_observations_unique": 3273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [29.090,7.060],
"number_observations": 3623,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 65.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}