Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1db43961cab8ea99453bc04ee22c180a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.911,
"b": 53.720,
"c": 115.527,
"alpha": 90.00,
"beta": 100.83,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.010,2.170],
"number_observations": 195718,
"number_observations_unique": 28447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.170],
"number_observations": 17124,
"number_observations_unique": 2495,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.287
},
{
"type": "R(meas)",
"value": 2.473
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [39.010,8.950],
"number_observations": 2710,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}