Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "513df192e7881dac0aa27cc06814a14d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.159,
"b": 118.787,
"c": 61.307,
"alpha": 90.000,
"beta": 107.246,
"gamma": 90.000
},
"wavelengths": [1.12000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.080,1.980],
"number_observations": 156224,
"number_observations_unique": 43818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 11158,
"number_observations_unique": 3232,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.258
},
{
"type": "R(meas)",
"value": 1.506
},
{
"type": "R(pim)",
"value": 0.816
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [44.080,8.850],
"number_observations": 1850,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}