Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c11f1ec9bd60a82ffb282083234b65e8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 117.968,
"b": 231.582,
"c": 54.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.200,2.610],
"number_observations": 115890,
"number_observations_unique": 23003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.610],
"number_observations": 11827,
"number_observations_unique": 2753,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.639
},
{
"type": "R(meas)",
"value": 1.860
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [49.200,9.040],
"number_observations": 2743,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}