Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "933a12ed93e86f9f6966fc137fb0e803",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.719,
"b": 153.753,
"c": 53.073,
"alpha": 90.00,
"beta": 110.21,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [153.750,1.750],
"number_observations": 121084,
"number_observations_unique": 45549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 2347,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 22.700
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [153.750,5.530],
"number_observations": 5872,
"number_observations_unique": 1765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}