Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8551841e2101a4ef9b5026f0f318c96",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 54.453,
"b": 97.217,
"c": 234.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.600,2.500],
"number_observations": 118507,
"number_observations_unique": 21964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 12861,
"number_observations_unique": 2435,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.130
},
{
"type": "R(meas)",
"value": 3.465
},
{
"type": "R(pim)",
"value": 1.461
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.246
}
]
},
{
"resolution_limits": [47.600,9.010],
"number_observations": 2298,
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}