Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56a5a34f50125a2273847f7586515e4b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.406,
"b": 60.406,
"c": 65.580,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.820,1.720],
"number_observations": 134867,
"number_observations_unique": 20804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 8323,
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [28.820,7.690],
"number_observations": 1591,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}