Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b3ec176a5dba8f8784a157356dd75e82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.569,
"b": 84.402,
"c": 59.168,
"alpha": 90.00,
"beta": 108.14,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.230,1.380],
"number_observations": 437144,
"number_observations_unique": 82257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.380],
"number_observations": 1053,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.406
},
{
"type": "R(meas)",
"value": 3.346
},
{
"type": "R(pim)",
"value": 2.318
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 16.900
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.167
}
]
},
{
"resolution_limits": [56.230,7.440],
"number_observations": 4648,
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 101.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}