Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "815e95572a3b66bee1e5e19145316296",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.183,
"b": 60.360,
"c": 79.699,
"alpha": 90.00,
"beta": 93.63,
"gamma": 90.00
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.500,1.270],
"number_observations": 329229,
"number_observations_unique": 107997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 4677,
"number_observations_unique": 3220,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.427
},
{
"type": "R(meas)",
"value": 1.980
},
{
"type": "R(pim)",
"value": 1.369
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 56.400
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [46.500,6.960],
"number_observations": 2401,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}