Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82e2f28ba58c0f29508d7f1fb0e4c56a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.255,
"b": 60.255,
"c": 96.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95386],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.210,1.050],
"number_observations": 1712996,
"number_observations_unique": 92402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 42246,
"number_observations_unique": 3652,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.143
},
{
"type": "R(meas)",
"value": 2.242
},
{
"type": "R(pim)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [96.210,5.750],
"number_observations": 12792,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 92.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}