Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20954fe6c688f7efd5c70930e6bfc286",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.715,
"b": 63.748,
"c": 74.629,
"alpha": 90.00,
"beta": 125.78,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.430,2.110],
"number_observations": 102173,
"number_observations_unique": 25327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 8357,
"number_observations_unique": 2052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [48.430,8.940],
"number_observations": 1325,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}