Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f057e6833760d79cd5a248278bae3bb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.030,
"b": 96.401,
"c": 100.026,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.7350,1.650],
"number_observations_unique": 71660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations": 45514,
"number_observations_unique": 7425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [19.730,6.170],
"number_observations": 8867,
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}