Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8401056c7a8f1962ea108295690e0ce0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.144,
"b": 90.740,
"c": 122.692,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.140,1.920],
"number_observations": 465377,
"number_observations_unique": 69770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.920],
"number_observations": 30677,
"number_observations_unique": 4443,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.981
},
{
"type": "R(meas)",
"value": 2.140
},
{
"type": "R(pim)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [81.140,9.210],
"number_observations": 4461,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 65.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}