Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07f2eb1471de1b9a2ff66c829a3950cf",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 54.190,
"b": 82.363,
"c": 147.760,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.250,1.900],
"number_observations": 341960,
"number_observations_unique": 26486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 15737,
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.344
},
{
"type": "R(meas)",
"value": 1.423
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [49.250,9.110],
"number_observations": 3074,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 84.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}