Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bf2eadff77d0fc2af96e92aabe21cb3",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 56.445,
"b": 74.166,
"c": 80.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.190,1.500],
"number_observations": 717310,
"number_observations_unique": 54685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 31214,
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.141
},
{
"type": "R(meas)",
"value": 2.237
},
{
"type": "R(pim)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [46.190,8.220],
"number_observations": 4442,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 80.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}