Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a04242b7a5c4d818e970a1710e572b60",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 47.727,
"b": 47.727,
"c": 92.321,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.433,1.800],
"number_observations_unique": 10064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 23.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 20828,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [42.400,5.700],
"number_observations": 8088,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}