Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bce5720d12d5d25d3435527fc0e3f995",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.63,
"b": 42.63,
"c": 216.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.630,2.440],
"number_observations": 136355,
"number_observations_unique": 8201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.440],
"number_observations": 8610,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.881
},
{
"type": "R(meas)",
"value": 5.066
},
{
"type": "R(pim)",
"value": 1.309
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.119
}
]
},
{
"resolution_limits": [42.630,10.910],
"number_observations": 1778,
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}