Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ec7e5c0a63f9e355adb316870651385",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.77,
"b": 64.50,
"c": 74.21,
"alpha": 90.00,
"beta": 125.89,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.290,1.990],
"number_observations": 121459,
"number_observations_unique": 30747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 8612,
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [53.290,9.120],
"number_observations": 1301,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}