Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3eb394a03de283a04826cd875c088e01",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.569,
"b": 66.571,
"c": 112.628,
"alpha": 90.00,
"beta": 109.83,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.878,3.194],
"number_observations": 56567,
"number_observations_unique": 16908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.252,3.194],
"number_observations": 2692,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [48.878,8.904],
"number_observations": 2580,
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}