Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf2d0f8c271460e16b469b1de9f08115",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 74.863,
"b": 180.223,
"c": 51.657,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.890,2.610],
"number_observations": 276628,
"number_observations_unique": 22031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.610],
"number_observations": 19476,
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [29.890,11.670],
"number_observations": 2485,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}