Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca6f81837c50bc4a23baf7aadfaced9e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.870,
"b": 93.660,
"c": 93.692,
"alpha": 90.00,
"beta": 107.88,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.660,1.550],
"number_observations": 466139,
"number_observations_unique": 134208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 35089,
"number_observations_unique": 9833,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.086
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.666
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [93.660,6.930],
"number_observations": 5738,
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}