Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9639d030e52136e95484ab14fd044340",
"space_group_name": "P 1",
"unit_cell": {
"a": 23.334,
"b": 33.183,
"c": 41.303,
"alpha": 99.27,
"beta": 90.00,
"gamma": 110.59
},
"wavelengths": [0.92016],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.740,2.800],
"number_observations_unique": 2615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 726,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [15.360,8.860],
"number_observations": 101,
"number_observations_unique": 58,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 63.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
}
]
}