Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4176aca79b9d68feaf9e4d283fc9f20e",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.033,
"b": 63.930,
"c": 65.504,
"alpha": 114.46,
"beta": 94.60,
"gamma": 104.06
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.640,1.850],
"number_observations_unique": 58153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.850],
"number_observations_unique": 5768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [44.640,7.170],
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}