Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cde1b65451d1f5c067f618ef2af202c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.623,
"b": 71.623,
"c": 150.735,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.280],
"number_observations": 1188875,
"number_observations_unique": 98912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.280],
"number_observations": 23599,
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [29.480,7.010],
"number_observations": 8969,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}