Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb63f539a7d533ce5fa7adb184d9dc72",
"space_group_name": "P 1",
"unit_cell": {
"a": 30.278,
"b": 41.812,
"c": 54.256,
"alpha": 84.58,
"beta": 76.30,
"gamma": 89.92
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.464,1.234],
"number_observations": 129516,
"number_observations_unique": 51557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 69.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.238,1.234],
"number_observations": 95,
"number_observations_unique": 54,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.781
},
{
"type": "R(meas)",
"value": 2.364
},
{
"type": "R(pim)",
"value": 1.540
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 8.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [52.464,5.726],
"number_observations": 1900,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}