Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2afe382233e10efcc01183d8819bd9a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.569,
"b": 151.480,
"c": 108.348,
"alpha": 90.00,
"beta": 91.08,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.7849,2.200],
"number_observations_unique": 97129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 17286,
"number_observations_unique": 4755,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.278
},
{
"type": "R(meas)",
"value": 1.500
},
{
"type": "R(pim)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.312
}
]
},
{
"resolution_limits": [75.740,12.050],
"number_observations": 2245,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}