Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f219002e7ff5865f860a2b3625dbec59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.055,
"b": 56.213,
"c": 101.546,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.950],
"number_observations": 154709,
"number_observations_unique": 23567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 10948,
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.837
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [29.000,8.710],
"number_observations": 1859,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}