Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80a271e5d965adb96448df0015575e27",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.699,
"b": 32.490,
"c": 85.629,
"alpha": 90.00,
"beta": 94.71,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.34,1.97],
"number_observations_unique": 20101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.08,1.97],
"number_observations_unique": 2924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
}
]
}