Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b9e9c816e7382ab65845b01b4f75142",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.934,
"b": 99.934,
"c": 99.314,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.980,1.470],
"number_observations": 274927,
"number_observations_unique": 32536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 13455,
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.306
},
{
"type": "R(meas)",
"value": 1.441
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [49.980,6.570],
"number_observations": 3583,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 71.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}