Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d12b3f85ef916b1ce899e6a9aeb55dca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.820,
"b": 41.446,
"c": 71.740,
"alpha": 90.00,
"beta": 103.97,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.870,1.550],
"number_observations": 115616,
"number_observations_unique": 34898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 5348,
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [31.870,8.470],
"number_observations": 753,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}