Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d2fb602d92bbb61986980c16bafa1c0",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.664,
"b": 93.664,
"c": 134.270,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97885],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.640],
"number_observations_unique": 10642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.640],
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.330,3.130],
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.580,3.330],
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.940,3.580],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.510,3.940],
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [5.690,4.510],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,5.690],
"number_observations_unique": 1139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}