Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0b1f6dc4d6b2282e6ccf62a3b8ba324",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.408,
"b": 112.028,
"c": 62.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.380,1.240],
"number_observations": 985833,
"number_observations_unique": 81921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 47794,
"number_observations_unique": 5898,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.734
},
{
"type": "R(meas)",
"value": 1.851
},
{
"type": "R(pim)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [66.380,5.550],
"number_observations": 12584,
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}