Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "642af08dd731518ccfce72d6722b2700",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.519,
"b": 123.711,
"c": 62.365,
"alpha": 90.00,
"beta": 93.94,
"gamma": 90.00
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.870,2.050],
"number_observations": 194035,
"number_observations_unique": 37375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 13664,
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.305
},
{
"type": "R(meas)",
"value": 2.599
},
{
"type": "R(pim)",
"value": 1.176
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.188
}
]
},
{
"resolution_limits": [43.870,8.930],
"number_observations": 2389,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}