Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e132beadefce38c6f4f37b56367fd34b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.273,
"b": 71.273,
"c": 150.138,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.470],
"number_observations": 858438,
"number_observations_unique": 66604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 32859,
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [29.340,8.050],
"number_observations": 5322,
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}