Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b29ddc2a564f51e63bed6d72138f4b3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.455,
"b": 49.695,
"c": 115.832,
"alpha": 90.000,
"beta": 94.886,
"gamma": 90.000
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.260,2.280],
"number_observations": 143030,
"number_observations_unique": 42002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.280],
"number_observations": 12727,
"number_observations_unique": 3743,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.511
},
{
"type": "R(meas)",
"value": 1.797
},
{
"type": "R(pim)",
"value": 0.964
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [115.260,9.120],
"number_observations": 2192,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}