Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e05d699fb71edd1690cec3c45f98ae8d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.485,
"b": 108.962,
"c": 63.235,
"alpha": 90.00,
"beta": 108.54,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.950,1.300],
"number_observations_unique": 177427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 56950,
"number_observations_unique": 8774,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.680
},
{
"type": "R(meas)",
"value": 1.826
},
{
"type": "R(pim)",
"value": 0.708
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [59.950,7.120],
"number_observations": 7097,
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}