Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "115781aa28d4e5be6015c4e409e79fcb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.942,
"b": 82.239,
"c": 32.234,
"alpha": 90.0,
"beta": 117.9,
"gamma": 90.0
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.270,1.170],
"number_observations": 107603,
"number_observations_unique": 32021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 66.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.170],
"number_observations": 130,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 4.200
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [82.270,6.410],
"number_observations": 1124,
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 61.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}