Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11a50a3d249a0affaa16bfc8378adeaa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.320,
"b": 87.952,
"c": 202.134,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.610,2.800],
"number_observations_unique": 25837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 11480,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [48.610,8.850],
"number_observations": 3573,
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}