Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a51e2f08839d9e0bbe4f17093cbce7c7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 206.24,
"b": 49.35,
"c": 115.90,
"alpha": 90.00,
"beta": 123.85,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.340,2.68],
"number_observations_unique": 22144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 6815,
"number_observations_unique": 2970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.207
}
]
},
{
"resolution_limits": [51.340,8.950],
"number_observations": 1738,
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 77.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}