Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4cbf3e750e00552eed0013515ae96db",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.64,
"b": 79.53,
"c": 89.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.530,1.230],
"number_observations": 792315,
"number_observations_unique": 130117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 41250,
"number_observations_unique": 9523,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.439
},
{
"type": "R(meas)",
"value": 1.641
},
{
"type": "R(pim)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [79.530,5.500],
"number_observations": 9891,
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}