Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0105c97d24177e444cbfab6d4a8c548",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 49.658,
"b": 49.658,
"c": 255.611,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.830,1.850],
"number_observations": 735477,
"number_observations_unique": 28702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 38967,
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [24.830,9.060],
"number_observations": 6326,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}