Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f84b69fd907b73abd550b2fcb28293e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.64,
"b": 92.06,
"c": 70.01,
"alpha": 90.00,
"beta": 112.85,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.900,1.700],
"number_observations": 377894,
"number_observations_unique": 80275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 17665,
"number_observations_unique": 4085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [54.900,9.000],
"number_observations": 2568,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}