Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3138ee1878b23b907e29b7a8293fb75",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.55,
"b": 114.51,
"c": 120.81,
"alpha": 90.00,
"beta": 100.33,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.410,2.080],
"number_observations": 398892,
"number_observations_unique": 117782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 8683,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.061
},
{
"type": "R(meas)",
"value": 1.273
},
{
"type": "R(pim)",
"value": 0.696
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [67.410,9.300],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}