Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea714a2f6e920e90b11a9a73b7aacfa3",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.037,
"b": 91.099,
"c": 99.357,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.560,1.600],
"number_observations": 501649,
"number_observations_unique": 40144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 57276,
"number_observations_unique": 5765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.817
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [36.560,5.070],
"number_observations": 16162,
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 64.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}