Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ecf75afe122a789a9aef854665c2ed3d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.620,
"b": 48.116,
"c": 70.944,
"alpha": 90.0,
"beta": 90.8,
"gamma": 90.0
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.950,1.480],
"number_observations": 330023,
"number_observations_unique": 50259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.708
},
{
"type": "R(meas)",
"value": 3.033
},
{
"type": "R(pim)",
"value": 1.341
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.185
}
]
},
{
"resolution_limits": [70.950,8.110],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}