Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4528d6ad9779d5013fb5db04d73d8c6d",
"space_group_name": "P 1",
"unit_cell": {
"a": 30.07,
"b": 30.56,
"c": 35.01,
"alpha": 75.03,
"beta": 68.46,
"gamma": 89.62
},
"wavelengths": [0.79990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.310,0.870],
"number_observations": 565868,
"number_observations_unique": 84819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.890,0.870],
"number_observations": 13302,
"number_observations_unique": 3838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [31.310,4.770],
"number_observations": 3378,
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}