Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05b9fc68d856b3e836206036d52dc1e8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.491,
"b": 96.581,
"c": 57.942,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.710],
"number_observations": 165316,
"number_observations_unique": 25152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 5288,
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 1.035
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [28.970,9.030],
"number_observations": 1245,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 60.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}