Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21df3a99424d9711a35feb68616f9652",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.092,
"b": 70.011,
"c": 85.779,
"alpha": 102.72,
"beta": 96.48,
"gamma": 112.21
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.080,2.070],
"number_observations": 242031,
"number_observations_unique": 70814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 15449,
"number_observations_unique": 4342,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.722
},
{
"type": "R(meas)",
"value": 2.028
},
{
"type": "R(pim)",
"value": 1.060
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [62.080,9.950],
"number_observations": 2495,
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}