Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edefffdf3802faabbd0775fbc0090c51",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 64.936,
"b": 64.936,
"c": 244.109,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97371],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.754,1.420],
"number_observations_unique": 99787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 38874,
"number_observations_unique": 7241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [62.750,6.350],
"number_observations": 7279,
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}