Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd991fe8dc9800b814fe2193960cfa16",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.020,
"b": 152.743,
"c": 54.467,
"alpha": 90.00,
"beta": 109.92,
"gamma": 90.00
},
"wavelengths": [1.07200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.450],
"number_observations": 86688,
"number_observations_unique": 23626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.450],
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [2.640,2.540],
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [2.760,2.640],
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [2.900,2.760],
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [3.090,2.900],
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [3.320,3.090],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.660,3.320],
"number_observations_unique": 2330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.190,3.660],
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [5.280,4.190],
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [50.000,5.280],
"number_observations_unique": 2440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}