Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d210ed5ab8385501da21e8359f9c327",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.715,
"b": 146.129,
"c": 62.481,
"alpha": 90.00,
"beta": 96.87,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.3300,1.680],
"number_observations_unique": 118187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations_unique": 5670,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.427
},
{
"type": "R(meas)",
"value": 1.580
},
{
"type": "R(pim)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [47.290,9.200],
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}