Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75b6973c2b749c6bd6e3b77bd64ec798",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.71,
"b": 67.71,
"c": 166.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.880,1.850],
"number_observations": 181351,
"number_observations_unique": 18328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11341,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.163
},
{
"type": "R(meas)",
"value": 1.226
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [33.880,9.060],
"number_observations": 1494,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 63.600
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}