Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02b5147af3fb78c5daae02dfa69b7263",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.205,
"b": 27.238,
"c": 55.906,
"alpha": 90.00,
"beta": 99.76,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.650,1.410],
"number_observations": 64857,
"number_observations_unique": 22439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.410],
"number_observations": 7032,
"number_observations_unique": 3350,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.592
},
{
"type": "R(meas)",
"value": 2.070
},
{
"type": "R(pim)",
"value": 1.309
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [35.650,4.450],
"number_observations": 2535,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}