Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc2a8f83ba224287a00a37e5f0606d2e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.703,
"b": 82.410,
"c": 227.571,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.490,2.060],
"number_observations": 777663,
"number_observations_unique": 57491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.060],
"number_observations": 116426,
"number_observations_unique": 8269,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.587
},
{
"type": "R(meas)",
"value": 1.647
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [77.490,6.530],
"number_observations": 25638,
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}