Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c10236a67b5bfaf3d5c401a942328d77",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.461,
"b": 69.011,
"c": 57.222,
"alpha": 90.00,
"beta": 92.05,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.190,1.360],
"number_observations": 239832,
"number_observations_unique": 86412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.360],
"number_observations": 16668,
"number_observations_unique": 10248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.983
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [57.190,4.290],
"number_observations": 9919,
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}