Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c27584687adda6e5555ebd2515e033aa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.849,
"b": 73.437,
"c": 95.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.720,1.250],
"number_observations": 336888,
"number_observations_unique": 70573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 16253,
"number_observations_unique": 3438,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.459
},
{
"type": "R(meas)",
"value": 1.644
},
{
"type": "R(pim)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.410
}
]
},
{
"resolution_limits": [36.720,6.850],
"number_observations": 2310,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}