Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "73576f777550fd0cd45796eb770ce683",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.290,
"b": 69.978,
"c": 165.337,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.990,2.850],
"number_observations": 52279,
"number_observations_unique": 13179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 7500,
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.962
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [48.990,9.010],
"number_observations": 1657,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}