Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "338d3de8b79c37896de6910afd4d5081",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.388,
"b": 63.346,
"c": 74.786,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.300,1.950],
"number_observations": 133516,
"number_observations_unique": 32185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 7753,
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [48.300,8.960],
"number_observations": 1317,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}