Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d35ede85852686880631bbd226644156",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.608,
"b": 71.608,
"c": 150.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.250],
"number_observations": 1200904,
"number_observations_unique": 108619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 17176,
"number_observations_unique": 4935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [29.480,6.840],
"number_observations": 9713,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}