Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a8ef408d36b50740ed3b5db89494a90",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.532,
"b": 57.391,
"c": 62.168,
"alpha": 90.00,
"beta": 99.68,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.280,1.460],
"number_observations": 394159,
"number_observations_unique": 58560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.460],
"number_observations": 18519,
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.655
},
{
"type": "R(meas)",
"value": 7.280
},
{
"type": "R(pim)",
"value": 2.914
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.077
}
]
},
{
"resolution_limits": [61.280,7.860],
"number_observations": 2845,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 77.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}