Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd1a6c9160d1fade54c6d043b65c7f91",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 31.814,
"b": 60.861,
"c": 106.401,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97908],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.861,1.131],
"number_observations_unique": 77655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.135,1.131],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.80
},
{
"type": "R(meas)",
"value": 0.931
},
{
"type": "R(pim)",
"value": 0.458
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [60.861,5.250],
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}