Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98a2ff8b200d0626899be2de4abc4928",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.681,
"b": 70.797,
"c": 98.513,
"alpha": 90.00,
"beta": 97.48,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.674,2.180],
"number_observations": 115963,
"number_observations_unique": 30312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.180],
"number_observations": 16882,
"number_observations_unique": 4361,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.618
},
{
"type": "R(meas)",
"value": 1.907
},
{
"type": "R(pim)",
"value": 0.991
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [97.674,6.900],
"number_observations": 3911,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}