Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c10042807a0d9ff84e093762fdf699d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.529,
"b": 94.032,
"c": 99.793,
"alpha": 90.00,
"beta": 102.07,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.850,1.450],
"number_observations": 909011,
"number_observations_unique": 201015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 78215,
"number_observations_unique": 19523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [19.850,5.430],
"number_observations": 18943,
"number_observations_unique": 3758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}