Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27b8b3f36d4d4e03fd6a8119ed920295",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 228.098,
"b": 98.134,
"c": 176.506,
"alpha": 90.00,
"beta": 103.26,
"gamma": 90.00
},
"wavelengths": [0.97948],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.690,2.100],
"number_observations": 659590,
"number_observations_unique": 217985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 19122,
"number_observations_unique": 9452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [76.690,11.500],
"number_observations": 4299,
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}