Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2788762440d6f8719f59fcf4d8ecaccd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.269,
"b": 27.125,
"c": 55.640,
"alpha": 90.00,
"beta": 100.13,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.760,1.190],
"number_observations": 90606,
"number_observations_unique": 34986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 1032,
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.232
},
{
"type": "R(meas)",
"value": 1.737
},
{
"type": "R(pim)",
"value": 1.224
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 48.300
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.228
}
]
},
{
"resolution_limits": [54.760,6.520],
"number_observations": 753,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}