Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dc4caadb91a53bf9fb812f5a5391b2a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.125,
"b": 67.125,
"c": 164.890,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.510,1.480],
"number_observations": 718188,
"number_observations_unique": 37651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.480],
"number_observations": 66900,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.660
},
{
"type": "R(meas)",
"value": 2.736
},
{
"type": "R(pim)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [47.510,5.730],
"number_observations": 13414,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}