Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dca95935376adf78388bb844b4692e5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.629,
"b": 45.313,
"c": 83.198,
"alpha": 90.00,
"beta": 102.26,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.400,1.640],
"number_observations": 194111,
"number_observations_unique": 56227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 14377,
"number_observations_unique": 4095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [28.400,7.330],
"number_observations": 2334,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}