Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fb3f2ebe76c6f17a9569be4e4066766",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.94,
"b": 27.52,
"c": 56.73,
"alpha": 90.00,
"beta": 100.19,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.840,1.180],
"number_observations": 109783,
"number_observations_unique": 39796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.180],
"number_observations": 3684,
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [55.840,5.280],
"number_observations": 1561,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}