Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72bffde6cf8d42dd82c93e7972e2bc95",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.69,
"b": 93.68,
"c": 93.32,
"alpha": 90.00,
"beta": 107.81,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.930,1.900],
"number_observations": 253129,
"number_observations_unique": 73760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 18975,
"number_observations_unique": 5431,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "R(meas)",
"value": 1.312
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [54.930,8.500],
"number_observations": 3103,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}