Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "549a14b0d37b5c58cc88fe20a259353c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.249,
"b": 41.283,
"c": 72.055,
"alpha": 90.00,
"beta": 104.28,
"gamma": 90.00
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.071,1.550],
"number_observations_unique": 32398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.650
},
{
"type": "Completeness",
"value": 91.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.550],
"number_observations": 8403,
"number_observations_unique": 4465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 79.100
}
]
},
{
"resolution_limits": [1.760,1.640],
"number_observations": 8979,
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 86.300
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations": 9082,
"number_observations_unique": 4555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 91.900
}
]
},
{
"resolution_limits": [2.080,1.900],
"number_observations": 8805,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.980
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [2.320,2.080],
"number_observations": 8200,
"number_observations_unique": 3992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.820
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.680,2.320],
"number_observations": 7636,
"number_observations_unique": 3590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.350
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [3.270,2.680],
"number_observations": 7038,
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 29.250
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.600,3.270],
"number_observations": 7180,
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [29.071,4.600],
"number_observations": 5530,
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 56.730
},
{
"type": "Completeness",
"value": 98.200
}
]
}
]
}