Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "984faa563c34f3314749bb2f66d5edde",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.350,
"b": 68.795,
"c": 118.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.150,1.846],
"number_observations": 61447,
"number_observations_unique": 11535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.981,1.846],
"number_observations": 3363,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "R(meas)",
"value": 1.411
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 52.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [59.150,5.657],
"number_observations": 2854,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}