Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0caabc4cb0631f17e5fb06777fda8c79",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.545,
"b": 45.288,
"c": 83.257,
"alpha": 90.00,
"beta": 102.24,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.400,1.680],
"number_observations": 178410,
"number_observations_unique": 51426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 13331,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [28.400,7.520],
"number_observations": 2098,
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}