Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbce58e8af2fc4b2eba7b5dfa99dac17",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.292,
"b": 129.962,
"c": 45.207,
"alpha": 90.00,
"beta": 96.96,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.960,2.000],
"number_observations": 172036,
"number_observations_unique": 34862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10195,
"number_observations_unique": 2575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [44.960,8.940],
"number_observations": 1629,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}