Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08f632929484ff0ffcb328d477682d33",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.658,
"b": 56.587,
"c": 101.741,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.510,1.550],
"number_observations": 277335,
"number_observations_unique": 46513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 37798,
"number_observations_unique": 6697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [21.510,4.900],
"number_observations": 10686,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}