Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e589f3f3e3da4c5e031d659f5e41989",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.26,
"b": 97.79,
"c": 66.61,
"alpha": 90.00,
"beta": 103.42,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.900,1.630],
"number_observations_unique": 83169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 17549,
"number_observations_unique": 3947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [48.890,8.920],
"number_observations": 2572,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}