Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7b3f2d4b97fee53712cf4d9155ab5cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.583,
"b": 56.600,
"c": 101.841,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.9200,1.610],
"number_observations": 234793,
"number_observations_unique": 40801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.610],
"number_observations": 27290,
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.108
},
{
"type": "R(meas)",
"value": 1.250
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.360
}
]
},
{
"resolution_limits": [55.580,5.090],
"number_observations": 9897,
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}