Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2bc274466441d3ccd5026a049ab6db2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.045,
"b": 96.985,
"c": 58.025,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,2.260],
"number_observations": 68898,
"number_observations_unique": 11137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.260],
"number_observations": 4344,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [29.010,9.050],
"number_observations": 1181,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}