Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e531a26986fb2f67d130a3f1f14a4d5f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.297,
"b": 51.591,
"c": 79.477,
"alpha": 90.00,
"beta": 92.08,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.270,1.450],
"number_observations": 425297,
"number_observations_unique": 62810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 18423,
"number_observations_unique": 2873,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.408
},
{
"type": "R(meas)",
"value": 1.529
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
},
{
"resolution_limits": [44.270,7.970],
"number_observations": 2675,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}