Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbeeb1f16d619a80c879a06473ae37dd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.795,
"b": 68.648,
"c": 138.407,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.470,2.110],
"number_observations": 255770,
"number_observations_unique": 37830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.110],
"number_observations": 22411,
"number_observations_unique": 3180,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.637
},
{
"type": "R(meas)",
"value": 5.002
},
{
"type": "R(pim)",
"value": 1.862
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.268
}
]
},
{
"resolution_limits": [138.470,8.710],
"number_observations": 3605,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
}
]
}