Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cda5825d460f5df87fabc2c7a673d8d1",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.644,
"b": 57.644,
"c": 171.909,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.760,1.350],
"number_observations": 445698,
"number_observations_unique": 32429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 21650,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.977
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [40.760,7.390],
"number_observations": 3006,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 94.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}