Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7accda2e7ea5ae2e5a86d3db36690103",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.279,
"b": 41.279,
"c": 71.939,
"alpha": 90.00,
"beta": 104.14,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.090,1.3070],
"number_observations_unique": 56762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 14949,
"number_observations_unique": 2666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [32.090,7.160],
"number_observations": 2489,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 65.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}