Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9712ef965f7a8923a1ccc580db32ec35",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.057,
"b": 66.385,
"c": 203.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.330,1.950],
"number_observations_unique": 62634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.160
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.950],
"number_observations": 44893,
"number_observations_unique": 6189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.220
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations": 45328,
"number_observations_unique": 6249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.230
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 45212,
"number_observations_unique": 6217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.240
}
]
},
{
"resolution_limits": [2.310,2.200],
"number_observations": 45525,
"number_observations_unique": 6243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.260
}
]
},
{
"resolution_limits": [2.460,2.310],
"number_observations": 45912,
"number_observations_unique": 6284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
}
]
},
{
"resolution_limits": [2.650,2.460],
"number_observations": 45971,
"number_observations_unique": 6259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.320
}
]
},
{
"resolution_limits": [2.910,2.650],
"number_observations": 46387,
"number_observations_unique": 6291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.350
}
]
},
{
"resolution_limits": [3.330,2.910],
"number_observations": 46818,
"number_observations_unique": 6348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.330
}
]
},
{
"resolution_limits": [4.200,3.330],
"number_observations": 45863,
"number_observations_unique": 6371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.050
}
]
},
{
"resolution_limits": [40.330,4.200],
"number_observations": 40116,
"number_observations_unique": 6183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.330
}
]
}
]
}