Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60a211902b1f4360e3e5d2d1c2992cdf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.591,
"b": 45.306,
"c": 83.245,
"alpha": 90.00,
"beta": 102.41,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.380,1.760],
"number_observations": 156630,
"number_observations_unique": 45594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.760],
"number_observations": 11435,
"number_observations_unique": 3314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [28.380,7.870],
"number_observations": 1870,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}