Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48e33837344fbf104ec9b8f91aeddd4c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.636,
"b": 56.587,
"c": 102.018,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.150,1.680],
"number_observations": 249292,
"number_observations_unique": 37306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 18113,
"number_observations_unique": 2665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [29.150,7.510],
"number_observations": 3008,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 58.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}