Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7cd9e08e5e64dd78e34635e06ebe2b0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.303,
"b": 40.525,
"c": 43.451,
"alpha": 90.00,
"beta": 104.25,
"gamma": 90.00
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.130,1.700],
"number_observations_unique": 15912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 535,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 42.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [19.130,9.000],
"number_observations": 182,
"number_observations_unique": 65,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}