Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b320332d8ff7a42f3e4a731d0f5ebd0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 56.067,
"b": 77.485,
"c": 66.167,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.170,1.880],
"number_observations": 157720,
"number_observations_unique": 12109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 9466,
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.726
},
{
"type": "R(meas)",
"value": 2.841
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [66.170,9.000],
"number_observations": 1491,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}