Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8d2511dcfceeee94ccca2d7800fb66b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.832,
"b": 69.528,
"c": 57.615,
"alpha": 90.00,
"beta": 92.82,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.530,1.750],
"number_observations": 296898,
"number_observations_unique": 42586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 14373,
"number_observations_unique": 2192,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.239
},
{
"type": "R(meas)",
"value": 2.434
},
{
"type": "R(pim)",
"value": 0.942
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.288
}
]
},
{
"resolution_limits": [69.530,9.080],
"number_observations": 1977,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 49.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}