Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa9997f818fe9ee12429c8217dc1c039",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.506,
"b": 91.226,
"c": 73.756,
"alpha": 90.00,
"beta": 106.39,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.090,2.480],
"number_observations": 91922,
"number_observations_unique": 26500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.480],
"number_observations": 13633,
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [57.090,7.830],
"number_observations": 2878,
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}