Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0c6d800aefc38aaff9868b67ae9a2c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.505,
"b": 87.245,
"c": 102.922,
"alpha": 90.00,
"beta": 101.65,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,2.000],
"number_observations_unique": 61616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 4486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.817
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [44.300,8],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}