Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b54bda6433acf90691e8252e52d0378a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.698,
"b": 48.152,
"c": 70.745,
"alpha": 90.00,
"beta": 90.72,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.690,1.470],
"number_observations": 209757,
"number_observations_unique": 50942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.470],
"number_observations_unique": 7413,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.096
},
{
"type": "R(meas)",
"value": 1.312
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [44.690,4.650],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}