Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94c2f51d8b1a318bfd546ffe735b35fb",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 44.37,
"b": 85.41,
"c": 87.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,1.120],
"number_observations_unique": 125336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.120],
"number_observations_unique": 5884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [44.370,6.130],
"number_observations_unique": 899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}