Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e40cc101155ba8f9d4901ce7885723c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.386,
"b": 157.490,
"c": 180.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.720,3.360],
"number_observations": 298951,
"number_observations_unique": 41350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
"refln_shells": [
{
"resolution_limits": [3.540,3.360],
"number_observations": 39579,
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [118.720,10.630],
"number_observations": 9838,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
}
]
}