Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b36236d001b9ba6ae9084ee37706decd",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 148.960,
"b": 148.960,
"c": 75.799,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.35,2.15],
"number_observations_unique": 27218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.5111
},
{
"type": "Completeness",
"value": 99.11
},
{
"type": "Redundancy",
"value": 13.65
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.15],
"number_observations": 32385,
"number_observations_unique": 3678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.47
},
{
"type": "I/SigI",
"value": 1.60
},
{
"type": "Completeness",
"value": 93.93
},
{
"type": "Redundancy",
"value": 8.81
}
]
},
{
"resolution_limits": [2.40,2.27],
"number_observations": 52237,
"number_observations_unique": 3721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.37
},
{
"type": "I/SigI",
"value": 2.03
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.04
}
]
},
{
"resolution_limits": [2.57,2.40],
"number_observations": 51464,
"number_observations_unique": 3517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "I/SigI",
"value": 2.69
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.63
}
]
},
{
"resolution_limits": [2.78,2.57],
"number_observations": 48176,
"number_observations_unique": 3280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 4.02
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.69
}
]
},
{
"resolution_limits": [3.04,2.78],
"number_observations": 44873,
"number_observations_unique": 3046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 5.86
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.73
}
]
},
{
"resolution_limits": [3.40,3.04],
"number_observations": 40236,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 8.84
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.64
}
]
},
{
"resolution_limits": [3.93,3.40],
"number_observations": 35699,
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 8.75
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.57
}
]
},
{
"resolution_limits": [4.81,3.93],
"number_observations": 30327,
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 6.92
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.39
}
]
},
{
"resolution_limits": [6.80,4.81],
"number_observations": 23424,
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 12.79
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.02
}
]
},
{
"resolution_limits": [65.35,6.80],
"number_observations": 12661,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 21.41
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 12.69
}
]
}
]
}