Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60a289f89aff074de9ff08526b2d100f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 68.516,
"b": 142.624,
"c": 65.431,
"alpha": 90.00,
"beta": 116.44,
"gamma": 90.00
},
"wavelengths": [0.97992],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.270,1.845],
"number_observations_unique": 47917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.845],
"number_observations": 13396,
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [45.270,9.040],
"number_observations": 1834,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}