Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d00e2302ae2bad31b86a3d5d40111d2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.048,
"b": 51.300,
"c": 78.879,
"alpha": 90.00,
"beta": 92.01,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.000,1.990],
"number_observations": 161883,
"number_observations_unique": 24135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 9357,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.708
},
{
"type": "R(meas)",
"value": 1.875
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [43.000,8.910],
"number_observations": 1835,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}