Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efa10a91afa427827ac398d8cdba326e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.382,
"b": 69.122,
"c": 118.029,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.714,1.706],
"number_observations": 91165,
"number_observations_unique": 17226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.811,1.706],
"number_observations": 4866,
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 44.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [40.714,4.977],
"number_observations": 4296,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 53.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}