Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aece655f4b7aa1edcc52e8e1e573eaba",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.969,
"b": 52.541,
"c": 44.676,
"alpha": 90.00,
"beta": 103.08,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.500,1.900],
"number_observations": 72112,
"number_observations_unique": 19925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 4826,
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.477
},
{
"type": "R(meas)",
"value": 1.717
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
},
{
"resolution_limits": [54.500,9.110],
"number_observations": 762,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}