Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61901a43423c5cdbbda0814db03ca8c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.758,
"b": 69.462,
"c": 139.336,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [139.350,1.990],
"number_observations": 304692,
"number_observations_unique": 45238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 20817,
"number_observations_unique": 3117,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.260
},
{
"type": "R(meas)",
"value": 4.623
},
{
"type": "R(pim)",
"value": 1.779
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [139.350,9.120],
"number_observations": 3095,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
}
]
}