Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69a60f3ad7f6ce4d9221d514b995f7ea",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.132,
"b": 96.508,
"c": 57.924,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,1.800],
"number_observations": 122634,
"number_observations_unique": 21356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 5709,
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.965
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [28.960,8.640],
"number_observations": 1293,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}