Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "be130a076b1839bf49c43aca0e3a2baf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.70,
"b": 48.02,
"c": 70.53,
"alpha": 90.00,
"beta": 90.85,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.720,1.440],
"number_observations": 345679,
"number_observations_unique": 53065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations_unique": 3792,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.801
},
{
"type": "R(meas)",
"value": 2.018
},
{
"type": "R(pim)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [32.720,6.440],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}