Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66305eae5bd2d3b81c6c825e9dbd5e57",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.399,
"b": 34.769,
"c": 37.575,
"alpha": 90.00,
"beta": 92.28,
"gamma": 90.00
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.550,1.250],
"number_observations": 162487,
"number_observations_unique": 26295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 6416,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.748
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [37.550,6.850],
"number_observations": 958,
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}