Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4169f332311c49d8dbe2a96ba3ed8248",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.139,
"b": 32.127,
"c": 59.656,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97879],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.660,0.940],
"number_observations_unique": 69035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.940],
"number_observations": 18185,
"number_observations_unique": 4971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [59.660,2.960],
"number_observations": 7788,
"number_observations_unique": 1330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}