Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16d7eac9cf8635f26c2379dd823a73b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.45,
"b": 82.53,
"c": 213.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,1.610],
"number_observations": 1690626,
"number_observations_unique": 122358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 77.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 29309,
"number_observations_unique": 2727,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.799
},
{
"type": "R(meas)",
"value": 1.889
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 23.500
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [35.000,7.200],
"number_observations": 25810,
"number_observations_unique": 1956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}