Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9de6565dd95436c8a626b98659e858b0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.72,
"b": 68.63,
"c": 57.05,
"alpha": 90.00,
"beta": 92.18,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.680,1.500],
"number_observations": 199792,
"number_observations_unique": 65839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 10376,
"number_observations_unique": 4744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [53.680,6.710],
"number_observations": 2467,
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}