Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfad5d64b3b6bc3004d27856bd001aff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.784,
"b": 57.913,
"c": 114.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.300,1.610],
"number_observations": 288633,
"number_observations_unique": 45442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 21176,
"number_observations_unique": 3269,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.865
},
{
"type": "R(pim)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [57.300,7.200],
"number_observations": 3715,
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}