Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3910e1800813f59eb21fb4e71f37adc7",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 119.64,
"b": 119.64,
"c": 51.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.600,2.060],
"number_observations": 128937,
"number_observations_unique": 20392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.060],
"number_observations": 7158,
"number_observations_unique": 1391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.550
},
{
"type": "R(meas)",
"value": 1.714
},
{
"type": "R(pim)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 78.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.287
}
]
},
{
"resolution_limits": [84.600,8.980],
"number_observations": 3905,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}