Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cea9875b13b3f90aceb650d4bfa7db38",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.477,
"b": 45.339,
"c": 83.032,
"alpha": 90.00,
"beta": 102.17,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.380,1.970],
"number_observations": 105914,
"number_observations_unique": 31907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 6338,
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.899
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [28.380,8.810],
"number_observations": 1089,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}