Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7c6165a65f49679398c2d0b4c261c6c",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.912,
"b": 40.015,
"c": 105.890,
"alpha": 84.48,
"beta": 85.91,
"gamma": 62.77
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.490,1.990],
"number_observations": 64867,
"number_observations_unique": 33843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.990],
"number_observations": 2842,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.786
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 63.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [35.490,8.920],
"number_observations": 765,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}