Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a5cbfd8b77151a6ea0cc6b17f07c2db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.166,
"b": 84.865,
"c": 87.935,
"alpha": 90.00,
"beta": 130.95,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.420,1.30],
"number_observations": 764768,
"number_observations_unique": 126392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.330],
"number_observations": 16968,
"number_observations_unique": 5898,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.039
},
{
"type": "R(meas)",
"value": 1.258
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 25.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [66.420,4.220],
"number_observations": 34958,
"number_observations_unique": 5179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 73.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}