Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b17222d5839e08f6677ea31164d9174e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.601,
"b": 67.812,
"c": 40.177,
"alpha": 90.00,
"beta": 91.61,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.160,1.110],
"number_observations": 274006,
"number_observations_unique": 84274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.110],
"number_observations": 30171,
"number_observations_unique": 9520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [40.160,3.990],
"number_observations": 6245,
"number_observations_unique": 1828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 58.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}