Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0e34cc6b099ecc0c2be291c3cb434fd4",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.839,
"b": 88.839,
"c": 39.638,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,1.010],
"number_observations": 1030408,
"number_observations_unique": 161465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations": 37308,
"number_observations_unique": 7489,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.525
},
{
"type": "R(meas)",
"value": 2.817
},
{
"type": "R(pim)",
"value": 1.224
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.312
}
]
},
{
"resolution_limits": [44.420,5.530],
"number_observations": 7333,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}