Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c7922e3c18455baa0abfcc71fb3fa234",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 123.556,
"b": 123.556,
"c": 135.898,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [135.90,3.15],
"number_observations_unique": 18850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.516
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [135.90,8.91],
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 32.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 24.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.37,3.15],
"number_observations_unique": 3338,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.411
},
{
"type": "R(meas)",
"value": 3.530
},
{
"type": "R(pim)",
"value": 0.907
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.5
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
}
]
}