Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1045e8bf668396ce5beb43cbba1757c",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.962,
"b": 59.962,
"c": 110.408,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.200,1.710],
"number_observations": 283773,
"number_observations_unique": 22411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 20368,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.204
},
{
"type": "R(meas)",
"value": 3.339
},
{
"type": "R(pim)",
"value": 0.928
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [55.200,7.650],
"number_observations": 3446,
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}