Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a921c3fe289d73a92df34ccc14bb621e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.742,
"b": 43.808,
"c": 102.800,
"alpha": 90.00,
"beta": 107.29,
"gamma": 90.00
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.080,2.800],
"number_observations": 50668,
"number_observations_unique": 13861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 7108,
"number_observations_unique": 1966,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.656
},
{
"type": "R(meas)",
"value": 1.942
},
{
"type": "R(pim)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [49.080,8.850],
"number_observations": 1471,
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}