Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c57fc4d733cc8bed71577b0cd6bae846",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 79.913,
"b": 79.913,
"c": 323.789,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.21,2.11],
"number_observations": 624835,
"number_observations_unique": 36240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 17.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.110],
"number_observations": 69022,
"number_observations_unique": 4921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.360,2.230],
"number_observations": 85302,
"number_observations_unique": 4914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
{
"resolution_limits": [2.520,2.360],
"number_observations": 88457,
"number_observations_unique": 4635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [2.730,2.520],
"number_observations": 81495,
"number_observations_unique": 4338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
}
]
},
{
"resolution_limits": [2.990,2.730],
"number_observations": 75206,
"number_observations_unique": 4019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
}
]
},
{
"resolution_limits": [3.340,2.990],
"number_observations": 64305,
"number_observations_unique": 3692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
{
"resolution_limits": [3.850,3.340],
"number_observations": 56220,
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
}
]
},
{
"resolution_limits": [4.720,3.850],
"number_observations": 46869,
"number_observations_unique": 2826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.600
}
]
},
{
"resolution_limits": [6.680,4.720],
"number_observations": 36971,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
}
]
},
{
"resolution_limits": [39.656,6.680],
"number_observations": 20988,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.300
}
]
}
]
}