Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30cefd484f42376d78770f0e4e818b3f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.53,
"b": 77.34,
"c": 99.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.780,1.690],
"number_observations": 217870,
"number_observations_unique": 34170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 13814,
"number_observations_unique": 2478,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.362
},
{
"type": "R(meas)",
"value": 1.506
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [49.780,7.560],
"number_observations": 2580,
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}