Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "489c6e248592ee908b4859a2f827b545",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.732,
"b": 56.838,
"c": 101.329,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,2.230],
"number_observations": 104178,
"number_observations_unique": 16045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.230],
"number_observations": 6443,
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [29.040,9.960],
"number_observations": 1232,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 63.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}