Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a84538f99b0e241ef099659f3b05df8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.211,
"b": 71.211,
"c": 150.005,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.310,1.420],
"number_observations": 926408,
"number_observations_unique": 73857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 31362,
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [29.310,7.500],
"number_observations": 6546,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 86.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}