Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e379f1680d127ba1bb88f6e81e6afe16",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.630,
"b": 95.630,
"c": 45.892,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.610,1.420],
"number_observations": 499362,
"number_observations_unique": 39275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 17139,
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.556
},
{
"type": "R(meas)",
"value": 4.837
},
{
"type": "R(pim)",
"value": 1.614
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [67.610,7.780],
"number_observations": 3059,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}