Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d437c3f949215825e96e134569a70406",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.458,
"b": 35.021,
"c": 37.649,
"alpha": 90.00,
"beta": 92.47,
"gamma": 90.00
},
"wavelengths": [0.94290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.614,1.650],
"number_observations_unique": 11883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 3552,
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [37.610,9.040],
"number_observations": 414,
"number_observations_unique": 84,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}