Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44009890c6bf284163eebd67fbba2bcc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.32,
"b": 41.31,
"c": 110.85,
"alpha": 90.00,
"beta": 95.45,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.0000,2.050],
"number_observations_unique": 40304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 15.680
},
{
"type": "Completeness",
"value": 99.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.050],
"number_observations": 28833,
"number_observations_unique": 5315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations": 26260,
"number_observations_unique": 4414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.350,2.250],
"number_observations": 21944,
"number_observations_unique": 3692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 5.090
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.450,2.350],
"number_observations": 18700,
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 6.740
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.550,2.450],
"number_observations": 15718,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.800,2.550],
"number_observations": 30354,
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 11.910
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.000,2.800],
"number_observations": 17378,
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 16.890
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.300,3.000],
"number_observations": 49470,
"number_observations_unique": 8546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.910
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.300,4.300],
"number_observations": 11613,
"number_observations_unique": 2064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 39.340
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [7.000,5.300],
"number_observations": 7565,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 38.280
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [50.000,7.000],
"number_observations": 5320,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.120
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [25.0000,50.000],
"quality_factors": [
]
}
]
}