Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5e5013a8147256b645a4b2946c093c7",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.461,
"b": 59.941,
"c": 79.923,
"alpha": 79.53,
"beta": 81.32,
"gamma": 75.46
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.110,1.580],
"number_observations": 198056,
"number_observations_unique": 113202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.580],
"number_observations": 25177,
"number_observations_unique": 16464,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.027
},
{
"type": "R(meas)",
"value": 1.453
},
{
"type": "R(pim)",
"value": 1.027
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [78.110,4.990],
"number_observations": 6376,
"number_observations_unique": 3565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}