Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13b133b7ae516f9f6d1934e5010c9e14",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.981,
"b": 50.160,
"c": 69.728,
"alpha": 90.00,
"beta": 98.72,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.920,1.130],
"number_observations": 303327,
"number_observations_unique": 100708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.130],
"number_observations_unique": 15327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [68.920,3.590],
"number_observations_unique": 2464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}