Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22132748a14698e50f88c85104ab9633",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.921,
"b": 168.223,
"c": 195.548,
"alpha": 90.00,
"beta": 92.91,
"gamma": 90.00
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.060,2.250],
"number_observations": 474707,
"number_observations_unique": 107096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations": 24790,
"number_observations_unique": 5450,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [39.060,12.320],
"number_observations": 2728,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}