Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "456f383e0f7ff5bfa3d66f9ac1a1a99c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.365,
"b": 51.152,
"c": 78.920,
"alpha": 90.00,
"beta": 91.98,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,2.630],
"number_observations": 77450,
"number_observations_unique": 10517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.630],
"number_observations": 8745,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 0.957
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [44.340,8.730],
"number_observations": 2071,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}