Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9446b6b9989a4bd5f9fcb8e4db356ccc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.11,
"b": 46.22,
"c": 63.60,
"alpha": 90.00,
"beta": 112.21,
"gamma": 90.00
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.800,1.480],
"number_observations": 165800,
"number_observations_unique": 51587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 11661,
"number_observations_unique": 3778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [53.800,6.620],
"number_observations": 1778,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}