Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca1e56b05e91a6496c5ed83054a759da",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.89,
"b": 68.19,
"c": 332.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97989],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.100,1.630],
"number_observations": 523656,
"number_observations_unique": 91089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 15636,
"number_observations_unique": 5958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(meas)",
"value": 0.991
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [34.100,7.290],
"number_observations": 6583,
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 76.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}