Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7b9a89a2b1ed4523dd2311534cd0389",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.270,
"b": 51.400,
"c": 79.197,
"alpha": 90.00,
"beta": 91.95,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.2440,1.3660],
"number_observations_unique": 74710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 24189,
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [44.240,7.230],
"number_observations": 3464,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}