Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e5dfed1fc655c74ab8d082dd550d44b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.940,
"b": 86.457,
"c": 66.322,
"alpha": 90.0,
"beta": 112.1,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47,3.000],
"number_observations": 110284,
"number_observations_unique": 14540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 17.110
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.58
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 17177,
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.928
},
{
"type": "R(meas)",
"value": 0.996
},
{
"type": "I/SigI",
"value": 2.380
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [3.400,3.180],
"number_observations": 16968,
"number_observations_unique": 2194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 4.650
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.670,3.400],
"number_observations": 15921,
"number_observations_unique": 2062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 8.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.020,3.670],
"number_observations": 14505,
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.990
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.490,4.020],
"number_observations": 13093,
"number_observations_unique": 1709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.170,4.490],
"number_observations": 11562,
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 28.340
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.310,5.170],
"number_observations": 9583,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 30.720
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.850,6.310],
"number_observations": 7393,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.930
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [47.035,8.850],
"number_observations": 4081,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 97.800
}
]
}
]
}