Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcf7033d1d07dbbc5333f644356a184f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.72,
"b": 70.51,
"c": 60.42,
"alpha": 90.00,
"beta": 109.91,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.510,1.280],
"number_observations": 308365,
"number_observations_unique": 71741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.280],
"number_observations": 2169,
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 11.000
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [70.510,4.060],
"number_observations": 15775,
"number_observations_unique": 3160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 65.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}