Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8498be489f8b85c1c55ab8c5decc83b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.427,
"b": 26.963,
"c": 55.763,
"alpha": 90.00,
"beta": 100.53,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.830,1.150],
"number_observations": 87062,
"number_observations_unique": 36049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 655,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.733
},
{
"type": "R(meas)",
"value": 2.441
},
{
"type": "R(pim)",
"value": 1.718
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 27.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [54.830,6.300],
"number_observations": 815,
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}